(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide

C11H26N4O — CID 175579249

IUPAC(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide
SMILESCCCC(N)N(C)C(=O)[C@@H](N)CCCCN
InChIInChI=1S/C11H26N4O/c1-3-6-10(14)15(2)11(16)9(13)7-4-5-8-12/h9-10H,3-8,12-14H2,1-2H3/t9-,10?/m0/s1
InChIKeyAWSSIPCKYBYZMW-RGURZIINSA-N
MW230.36 g/mol
LogP-0.01
Rot. Bonds8

About (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide

(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide (PubChem CID 175579249) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide
PubChem CID175579249
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide
SMILESCCCC(N)N(C)C(=O)[C@@H](N)CCCCN
InChIInChI=1S/C11H26N4O/c1-3-6-10(14)15(2)11(16)9(13)7-4-5-8-12/h9-10H,3-8,12-14H2,1-2H3/t9-,10?/m0/s1
InChIKeyAWSSIPCKYBYZMW-RGURZIINSA-N
XLogP-0.01
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide
CID 175579289
(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
CID 175579254
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
N-[(2S)-2,6-diaminohexanoyl]-N-octanoyloctanamide
CID 139816414
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
2,6-diamino-N-[2-[2,6-diaminohexanoyl-[(E)-octadec-9-enyl]amino]ethyl]-N-[(E)-octadec-9-enyl]hexanamide
CID 23599721
ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide?
The IUPAC name of (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide (CID 175579249) is (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide is CCCC(N)N(C)C(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide?
The InChIKey is AWSSIPCKYBYZMW-RGURZIINSA-N. The full InChI is InChI=1S/C11H26N4O/c1-3-6-10(14)15(2)11(16)9(13)7-4-5-8-12/h9-10H,3-8,12-14H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide?
(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide has a molecular weight of 230.36 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide is sourced from PubChem (CID 175579249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).