2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide

C14H29N5O3 — CID 169185476

IUPAC2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide
SMILESNCCCCC(C=O)NC(=O)CNC(=O)C(N)CCCCN
InChIInChI=1S/C14H29N5O3/c15-7-3-1-5-11(10-20)19-13(21)9-18-14(22)12(17)6-2-4-8-16/h10-12H,1-9,15-17H2,(H,18,22)(H,19,21)
InChIKeyAFKJBNRLRDVIFP-UHFFFAOYSA-N
MW315.42 g/mol
LogP-1.63
Rot. Bonds13

About 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide

2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide (PubChem CID 169185476) has the molecular formula C14H29N5O3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide
PubChem CID169185476
Molecular FormulaC14H29N5O3
Molecular Weight315.42 g/mol
Exact Mass315.23
IUPAC Name2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide
SMILESNCCCCC(C=O)NC(=O)CNC(=O)C(N)CCCCN
InChIInChI=1S/C14H29N5O3/c15-7-3-1-5-11(10-20)19-13(21)9-18-14(22)12(17)6-2-4-8-16/h10-12H,1-9,15-17H2,(H,18,22)(H,19,21)
InChIKeyAFKJBNRLRDVIFP-UHFFFAOYSA-N
XLogP-1.63
TPSA153.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
CID 123833893
(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
CID 87430272
(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]hexanoic acid
CID 134826235
(4S)-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
CID 54125890
(2S)-2,6-diamino-N-[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]hexanamide
CID 101377410
2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18305235
(2S,3S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 10041460
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2R)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
CID 123646713
magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
CID 174953341
(4S)-4-amino-5-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 91525114

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide?
The IUPAC name of 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide (CID 169185476) is 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide?
The canonical SMILES for 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide is NCCCCC(C=O)NC(=O)CNC(=O)C(N)CCCCN.
What is the InChIKey of 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide?
The InChIKey is AFKJBNRLRDVIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O3/c15-7-3-1-5-11(10-20)19-13(21)9-18-14(22)12(17)6-2-4-8-16/h10-12H,1-9,15-17H2,(H,18,22)(H,19,21).
What are the key properties of 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide?
2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide has a molecular weight of 315.42 g/mol, XLogP of -1.63, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 169185476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).