[[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide

C43H98BrN7O10 — CID 159939749

IUPAC[[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide
SMILESBr.C.C.C.C.C.CCCCCC(=O)NCCCCC(NOC(=O)C(CCCCN)NC)C(=O)OC.CCCCCCOON1C(=O)CCC1=O.CNC(CCCCN)COC
InChIInChI=1S/C20H40N4O5.C10H17NO4.C8H20N2O.5CH4.BrH/c1-4-5-6-13-18(25)23-15-10-8-12-17(19(26)28-3)24-29-20(27)16(22-2)11-7-9-14-21;1-2-3-4-5-8-14-15-11-9(12)6-7-10(11)13;1-10-8(7-11-2)5-3-4-6-9;;;;;;/h16-17,22,24H,4-15,21H2,1-3H3,(H,23,25);2-8H2,1H3;8,10H,3-7,9H2,1-2H3;5*1H4;1H
InChIKeyRPQAEEMVMGITFG-UHFFFAOYSA-N
MW953.20 g/mol
LogP6.85
Rot. Bonds32

About [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide

[[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide (PubChem CID 159939749) has the molecular formula C43H98BrN7O10 and a molecular weight of 953.20 g/mol. Its IUPAC name is [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide.

Molecular Properties

Compound Name[[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide
PubChem CID159939749
Molecular FormulaC43H98BrN7O10
Molecular Weight953.20 g/mol
Exact Mass951.66
IUPAC Name[[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide
SMILESBr.C.C.C.C.C.CCCCCC(=O)NCCCCC(NOC(=O)C(CCCCN)NC)C(=O)OC.CCCCCCOON1C(=O)CCC1=O.CNC(CCCCN)COC
InChIInChI=1S/C20H40N4O5.C10H17NO4.C8H20N2O.5CH4.BrH/c1-4-5-6-13-18(25)23-15-10-8-12-17(19(26)28-3)24-29-20(27)16(22-2)11-7-9-14-21;1-2-3-4-5-8-14-15-11-9(12)6-7-10(11)13;1-10-8(7-11-2)5-3-4-6-9;;;;;;/h16-17,22,24H,4-15,21H2,1-3H3,(H,23,25);2-8H2,1H3;8,10H,3-7,9H2,1-2H3;5*1H4;1H
InChIKeyRPQAEEMVMGITFG-UHFFFAOYSA-N
XLogP6.85
TPSA234.90 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500953.20
LogP ≤ 56.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide with MolForge

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Launch Full Analysis

Related Compounds

[[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate
CID 58660988
N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide
CID 174243658
N-[6-(heptylamino)-5-(methylamino)-6-oxohexyl]hexadecanamide
CID 162524665
4-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-5-[6-(dodecanoylamino)hexylamino]-5-oxopentanoic acid;ethane
CID 166081986
2,6-bis(pentanoylamino)hexanoic acid;2,6-diaminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) pentanoate;methane
CID 157161409
methyl 2,6-bis(hexanoylamino)hexanoate
CID 102032738
methyl (2S)-2-(methylamino)-6-(4-sulfanylbutanoylamino)hexanoate
CID 58895159
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
methyl (2S)-6-amino-2-(icosanoylamino)hexanoate
CID 139764114
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986

Frequently Asked Questions

What is the IUPAC name of [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide?
The IUPAC name of [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide (CID 159939749) is [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide.
What is the SMILES notation for [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide?
The canonical SMILES for [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide is Br.C.C.C.C.C.CCCCCC(=O)NCCCCC(NOC(=O)C(CCCCN)NC)C(=O)OC.CCCCCCOON1C(=O)CCC1=O.CNC(CCCCN)COC.
What is the InChIKey of [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide?
The InChIKey is RPQAEEMVMGITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O5.C10H17NO4.C8H20N2O.5CH4.BrH/c1-4-5-6-13-18(25)23-15-10-8-12-17(19(26)28-3)24-29-20(27)16(22-2)11-7-9-14-21;1-2-3-4-5-8-14-15-11-9(12)6-7-10(11)13;1-10-8(7-11-2)5-3-4-6-9;;;;;;/h16-17,22,24H,4-15,21H2,1-3H3,(H,23,25);2-8H2,1H3;8,10H,3-7,9H2,1-2H3;5*1H4;1H.
What are the key properties of [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide?
[[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide has a molecular weight of 953.20 g/mol, XLogP of 6.85, 32 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-(hexanoylamino)-1-methoxy-1-oxohexan-2-yl]amino] 6-amino-2-(methylamino)hexanoate;1-hexylperoxypyrrolidine-2,5-dione;methane;6-methoxy-5-N-methylhexane-1,5-diamine;hydrobromide is sourced from PubChem (CID 159939749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).