N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride

C18H31ClN2O — CID 119571934

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-5-18(6-2,13-19)20-17(21)12-9-15-7-10-16(11-8-15)14(3)4;/h7-8,10-11,14H,5-6,9,12-13,19H2,1-4H3,(H,20,21);1H
InChIKeyLHMNYKAXPMSPQX-UHFFFAOYSA-N
MW326.91 g/mol
LogP3.80
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride (PubChem CID 119571934) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
PubChem CID119571934
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-5-18(6-2,13-19)20-17(21)12-9-15-7-10-16(11-8-15)14(3)4;/h7-8,10-11,14H,5-6,9,12-13,19H2,1-4H3,(H,20,21);1H
InChIKeyLHMNYKAXPMSPQX-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119571012
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 119570960
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
N-[3-(aminomethyl)pentan-3-yl]-3-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119570011
1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-[3-(aminomethyl)pentan-3-yl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119569744
2-[3-(4-aminophenyl)propanoylamino]-2-ethylbutanoic acid
CID 115341581
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride (CID 119571934) is N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
The InChIKey is LHMNYKAXPMSPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-5-18(6-2,13-19)20-17(21)12-9-15-7-10-16(11-8-15)14(3)4;/h7-8,10-11,14H,5-6,9,12-13,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 3.80, 8 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-(4-propan-2-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119571934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).