N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide

C15H28N2O — CID 113295139

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC2(CN)CCCC2)CCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)13(18)17-12-14(11-16)7-3-4-8-14/h2-12,16H2,1H3,(H,17,18)
InChIKeyJHPYIAVCGCVANJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.59
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide (PubChem CID 113295139) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
PubChem CID113295139
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC2(CN)CCCC2)CCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)13(18)17-12-14(11-16)7-3-4-8-14/h2-12,16H2,1H3,(H,17,18)
InChIKeyJHPYIAVCGCVANJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide (CID 113295139) is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NCC2(CN)CCCC2)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide?
The InChIKey is JHPYIAVCGCVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)13(18)17-12-14(11-16)7-3-4-8-14/h2-12,16H2,1H3,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 113295139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).