N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide

C16H26N2O — CID 63765909

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,12-17)18-15(19)11-10-14-9-7-6-8-13(14)3/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19)
InChIKeyHSFBHIANZNDMPW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.56
Rot. Bonds7

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

N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide (PubChem CID 63765909) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
PubChem CID63765909
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,12-17)18-15(19)11-10-14-9-7-6-8-13(14)3/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19)
InChIKeyHSFBHIANZNDMPW-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119571159
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
2-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
CID 79793673
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
CID 119571102
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
CID 114307883
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119643019
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide (CID 63765909) is N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide is CCC(CC)(CN)NC(=O)CCc1ccccc1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide?
The InChIKey is HSFBHIANZNDMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(5-2,12-17)18-15(19)11-10-14-9-7-6-8-13(14)3/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.56, 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-(2-methylphenyl)propanamide is sourced from PubChem (CID 63765909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).