2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide

C15H31N3O2 — CID 134332050

IUPAC2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
SMILESCCCCCC(NC(=O)C(C)CCCCN)C(=O)NC
InChIInChI=1S/C15H31N3O2/c1-4-5-6-10-13(15(20)17-3)18-14(19)12(2)9-7-8-11-16/h12-13H,4-11,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRQEZEYHBFFIGCF-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.56
Rot. Bonds11

About 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide

2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide (PubChem CID 134332050) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide.

Molecular Properties

Compound Name2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
PubChem CID134332050
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
SMILESCCCCCC(NC(=O)C(C)CCCCN)C(=O)NC
InChIInChI=1S/C15H31N3O2/c1-4-5-6-10-13(15(20)17-3)18-14(19)12(2)9-7-8-11-16/h12-13H,4-11,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRQEZEYHBFFIGCF-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
N-[6-amino-1-[[1-[[1-[[1-[[6-amino-1-[[4-methyl-1-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-hexadecyloctadecanamide
CID 20670494
N-[(2S)-6-amino-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-hexadecyloctadecanamide
CID 58811054
(2S)-2-(2-aminoethylamino)-N-methylheptanamide
CID 58592369
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[1-[[6-amino-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylhexanamide
CID 59979804
N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
CID 163742124
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide?
The IUPAC name of 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide (CID 134332050) is 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide.
What is the SMILES notation for 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide?
The canonical SMILES for 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide is CCCCCC(NC(=O)C(C)CCCCN)C(=O)NC.
What is the InChIKey of 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide?
The InChIKey is RQEZEYHBFFIGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-5-6-10-13(15(20)17-3)18-14(19)12(2)9-7-8-11-16/h12-13H,4-11,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide?
2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide has a molecular weight of 285.43 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide is sourced from PubChem (CID 134332050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).