N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide

C14H30N2O — CID 82987241

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CC)(CC)CN
InChIInChI=1S/C14H30N2O/c1-5-9-12(10-6-2)13(17)16-14(7-3,8-4)11-15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyIVWNKYVNFCYKED-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.84
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide

N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide (PubChem CID 82987241) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
PubChem CID82987241
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CC)(CC)CN
InChIInChI=1S/C14H30N2O/c1-5-9-12(10-6-2)13(17)16-14(7-3,8-4)11-15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyIVWNKYVNFCYKED-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
CID 120607591
3-(aminomethyl)pentan-3-ylurea
CID 63766558
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
CID 82984485
2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188010
N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119569404
N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide
CID 119572055
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide (CID 82987241) is N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide is CCCC(CCC)C(=O)NC(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide?
The InChIKey is IVWNKYVNFCYKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-9-12(10-6-2)13(17)16-14(7-3,8-4)11-15/h12H,5-11,15H2,1-4H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide?
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide has a molecular weight of 242.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide is sourced from PubChem (CID 82987241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).