(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide

C14H32N6O2 — CID 57079658

IUPAC(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
SMILESNCCCC[C@H](N)C(=O)NCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C14H32N6O2/c15-7-3-1-5-11(17)13(21)19-9-10-20-14(22)12(18)6-2-4-8-16/h11-12H,1-10,15-18H2,(H,19,21)(H,20,22)/t11-,12-/m0/s1
InChIKeyVYDUSBLFVXIHSJ-RYUDHWBXSA-N
MW316.45 g/mol
LogP-1.87
Rot. Bonds13

About (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide

(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide (PubChem CID 57079658) has the molecular formula C14H32N6O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
PubChem CID57079658
Molecular FormulaC14H32N6O2
Molecular Weight316.45 g/mol
Exact Mass316.26
IUPAC Name(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
SMILESNCCCC[C@H](N)C(=O)NCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C14H32N6O2/c15-7-3-1-5-11(17)13(21)19-9-10-20-14(22)12(18)6-2-4-8-16/h11-12H,1-10,15-18H2,(H,19,21)(H,20,22)/t11-,12-/m0/s1
InChIKeyVYDUSBLFVXIHSJ-RYUDHWBXSA-N
XLogP-1.87
TPSA162.28 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 5-1.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;dihydrochloride
CID 87503662
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
3-(2,6-diaminohexanoylamino)propanoate;dihydrochloride
CID 18763805
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;oxalic acid
CID 87503030
(2S)-2,6-diamino-N-(methoxymethyl)hexanamide
CID 166782111
2,6-diamino-N-prop-2-ynylhexanamide
CID 118953139

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide (CID 57079658) is (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide is NCCCC[C@H](N)C(=O)NCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide?
The InChIKey is VYDUSBLFVXIHSJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H32N6O2/c15-7-3-1-5-11(17)13(21)19-9-10-20-14(22)12(18)6-2-4-8-16/h11-12H,1-10,15-18H2,(H,19,21)(H,20,22)/t11-,12-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide?
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide has a molecular weight of 316.45 g/mol, XLogP of -1.87, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide is sourced from PubChem (CID 57079658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).