N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide

C10H22N4O2 — CID 58661389

IUPACN-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
SMILESCNCCCCC(NC)C(=O)NCC(N)=O
InChIInChI=1S/C10H22N4O2/c1-12-6-4-3-5-8(13-2)10(16)14-7-9(11)15/h8,12-13H,3-7H2,1-2H3,(H2,11,15)(H,14,16)
InChIKeyAYJQPDKNSZRPJY-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.43
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide

N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide (PubChem CID 58661389) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
PubChem CID58661389
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
SMILESCNCCCCC(NC)C(=O)NCC(N)=O
InChIInChI=1S/C10H22N4O2/c1-12-6-4-3-5-8(13-2)10(16)14-7-9(11)15/h8,12-13H,3-7H2,1-2H3,(H2,11,15)(H,14,16)
InChIKeyAYJQPDKNSZRPJY-UHFFFAOYSA-N
XLogP-1.43
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.43
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

(2S)-N-[(5S)-6-amino-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide;(2S)-2,6-bis(methylamino)hexanamide
CID 160758777
(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
CID 59831421
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
(2S)-6-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N-[(2S)-2,5-bis(methylamino)pentyl]-2-(methylamino)hexanamide
CID 59839919
2-(methylamino)-N-(5-methylhexyl)butanediamide
CID 146635024
6-(methylamino)-2-[[2-[[2-(methylamino)-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoic acid
CID 170966325
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
methanamine;2-[[6-(methylamino)-2-[2-(methylamino)hexanoylamino]hexanoyl]amino]heptanamide
CID 170598010
(2S)-N-[(5S)-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-[[3-(ethylamino)-3-oxopropyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide
CID 89221767
N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
amino 2,6-bis(methylamino)hexanoate;cyclohexane
CID 123196847

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide (CID 58661389) is N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide is CNCCCCC(NC)C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide?
The InChIKey is AYJQPDKNSZRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-12-6-4-3-5-8(13-2)10(16)14-7-9(11)15/h8,12-13H,3-7H2,1-2H3,(H2,11,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide?
N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide has a molecular weight of 230.31 g/mol, XLogP of -1.43, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide is sourced from PubChem (CID 58661389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).