6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide

C14H30N4O2 — CID 178053261

IUPAC6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
SMILESCNC(=O)C(CCCCN)NC(=O)C(C)CCCCN
InChIInChI=1S/C14H30N4O2/c1-11(7-3-5-9-15)13(19)18-12(14(20)17-2)8-4-6-10-16/h11-12H,3-10,15-16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyTUXDAIYKYDVMHP-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.11
Rot. Bonds11

About 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide

6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide (PubChem CID 178053261) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
PubChem CID178053261
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
SMILESCNC(=O)C(CCCCN)NC(=O)C(C)CCCCN
InChIInChI=1S/C14H30N4O2/c1-11(7-3-5-9-15)13(19)18-12(14(20)17-2)8-4-6-10-16/h11-12H,3-10,15-16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyTUXDAIYKYDVMHP-UHFFFAOYSA-N
XLogP0.11
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
CID 134332050
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[1-[[6-amino-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylhexanamide
CID 59979804
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-2-methylpentanamide
CID 121419509
(2S)-6-amino-2-[[(2S)-4-[[(3S)-4-[[(1S)-5-amino-1-carboxypentyl]amino]-3-methyl-4-oxobutyl]disulfanyl]-2-methylbutanoyl]amino]hexanoic acid
CID 59111182
6-amino-N-methyl-2-[[3-methylbutyl(2-sulfanylethyl)carbamoyl]amino]hexanamide
CID 18337282
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
(2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide
CID 146234106
N-[6-amino-1-[[1-[[1-[[1-[[6-amino-1-[[4-methyl-1-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-hexadecyloctadecanamide
CID 20670494
N-[(2S)-6-amino-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-hexadecyloctadecanamide
CID 58811054

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide?
The IUPAC name of 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide (CID 178053261) is 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide.
What is the SMILES notation for 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide?
The canonical SMILES for 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide is CNC(=O)C(CCCCN)NC(=O)C(C)CCCCN.
What is the InChIKey of 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide?
The InChIKey is TUXDAIYKYDVMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-11(7-3-5-9-15)13(19)18-12(14(20)17-2)8-4-6-10-16/h11-12H,3-10,15-16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide?
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide has a molecular weight of 286.42 g/mol, XLogP of 0.11, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide is sourced from PubChem (CID 178053261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).