2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide

C14H31N3O — CID 81491323

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H31N3O/c1-7-11(4)16-14(18)12(5)17(6)9-8-13(15)10(2)3/h10-13H,7-9,15H2,1-6H3,(H,16,18)
InChIKeyYAJDBJLRAFKLFW-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.59
Rot. Bonds8

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide (PubChem CID 81491323) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
PubChem CID81491323
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H31N3O/c1-7-11(4)16-14(18)12(5)17(6)9-8-13(15)10(2)3/h10-13H,7-9,15H2,1-6H3,(H,16,18)
InChIKeyYAJDBJLRAFKLFW-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 81491160
(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
CID 95236092
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
CID 116652512
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284
1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
CID 115317385
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide
CID 63759181
3-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010078
N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide
CID 115869014

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide (CID 81491323) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N(C)CCC(N)C(C)C.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide?
The InChIKey is YAJDBJLRAFKLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-7-11(4)16-14(18)12(5)17(6)9-8-13(15)10(2)3/h10-13H,7-9,15H2,1-6H3,(H,16,18).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide has a molecular weight of 257.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 81491323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).