N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide

C13H26N2O — CID 107180771

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCCC1C
InChIInChI=1S/C13H26N2O/c1-4-13(5-2,9-14)15-12(16)11-8-6-7-10(11)3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyKDTYOXFCXKMJFJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107180771) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
PubChem CID107180771
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCCC1C
InChIInChI=1S/C13H26N2O/c1-4-13(5-2,9-14)15-12(16)11-8-6-7-10(11)3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyKDTYOXFCXKMJFJ-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 122080567
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
CID 63888954
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide
CID 107184388
N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119571971
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160193

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide (CID 107180771) is N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide is CCC(CC)(CN)NC(=O)C1CCCC1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is KDTYOXFCXKMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(5-2,9-14)15-12(16)11-8-6-7-10(11)3/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 5 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).