(2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide

C11H26N4O — CID 54422986

IUPAC(2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide
SMILESCCC(NC(=O)[C@@H](N)CCCCN)N(C)C
InChIInChI=1S/C11H26N4O/c1-4-10(15(2)3)14-11(16)9(13)7-5-6-8-12/h9-10H,4-8,12-13H2,1-3H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyWCCBMIMQQOMHRE-RGURZIINSA-N
MW230.36 g/mol
LogP-0.14
Rot. Bonds8

About (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide

(2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide (PubChem CID 54422986) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide
PubChem CID54422986
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name(2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide
SMILESCCC(NC(=O)[C@@H](N)CCCCN)N(C)C
InChIInChI=1S/C11H26N4O/c1-4-10(15(2)3)14-11(16)9(13)7-5-6-8-12/h9-10H,4-8,12-13H2,1-3H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyWCCBMIMQQOMHRE-RGURZIINSA-N
XLogP-0.14
TPSA84.38 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 ≤ 5-0.14
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'}

Analyze (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diamino-N-methylhexanamide;ethane
CID 142474602
(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
CID 178156190
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]propanoic acid
CID 54238921
(2S)-2-(2,6-diaminohexanoylamino)propanoic acid
CID 130447045
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
CID 54521285
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide
CID 25142509
(2S)-2,6-diamino-N-[(3S)-2-methyl-4-oxopentan-3-yl]hexanamide
CID 87068756
(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
CID 86308211
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide (CID 54422986) is (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide is CCC(NC(=O)[C@@H](N)CCCCN)N(C)C.
What is the InChIKey of (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide?
The InChIKey is WCCBMIMQQOMHRE-RGURZIINSA-N. The full InChI is InChI=1S/C11H26N4O/c1-4-10(15(2)3)14-11(16)9(13)7-5-6-8-12/h9-10H,4-8,12-13H2,1-3H3,(H,14,16)/t9-,10?/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide?
(2S)-2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide has a molecular weight of 230.36 g/mol, XLogP of -0.14, 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-(dimethylamino)propyl]hexanamide is sourced from PubChem (CID 54422986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).