N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide

C19H26N2O — CID 119571535

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
SMILESCCC(CC)(CN)NC(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O/c1-3-19(4-2,14-20)21-18(22)12-10-15-9-11-16-7-5-6-8-17(16)13-15/h5-9,11,13H,3-4,10,12,14,20H2,1-2H3,(H,21,22)
InChIKeyHEJFRAISHLVVOD-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.41
Rot. Bonds7

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

N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide (PubChem CID 119571535) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
PubChem CID119571535
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
SMILESCCC(CC)(CN)NC(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O/c1-3-19(4-2,14-20)21-18(22)12-10-15-9-11-16-7-5-6-8-17(16)13-15/h5-9,11,13H,3-4,10,12,14,20H2,1-2H3,(H,21,22)
InChIKeyHEJFRAISHLVVOD-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 119568650
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide
CID 107867586
N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119571012
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
3-methyl-2-(3-naphthalen-2-ylpropanoylamino)pentanamide
CID 142442459
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-phenylpropanamide
CID 107867522
N-[3-(aminomethyl)pentan-3-yl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119569744
N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
CID 119571102
3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
CID 166059452
N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
CID 63887570

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide (CID 119571535) is N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide is CCC(CC)(CN)NC(=O)CCc1ccc2ccccc2c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide?
The InChIKey is HEJFRAISHLVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-19(4-2,14-20)21-18(22)12-10-15-9-11-16-7-5-6-8-17(16)13-15/h5-9,11,13H,3-4,10,12,14,20H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 3.41, 7 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]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 119571535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).