1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride

C13H25ClN2O2 — CID 119755575

IUPAC1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCOCC2CC2)CCCC1
InChIInChI=1S/C13H24N2O2.ClH/c14-10-13(5-1-2-6-13)12(16)15-7-8-17-9-11-3-4-11;/h11H,1-10,14H2,(H,15,16);1H
InChIKeyVBWQXJNCOSNYPG-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.47
Rot. Bonds7

About 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119755575) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119755575
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCOCC2CC2)CCCC1
InChIInChI=1S/C13H24N2O2.ClH/c14-10-13(5-1-2-6-13)12(16)15-7-8-17-9-11-3-4-11;/h11H,1-10,14H2,(H,15,16);1H
InChIKeyVBWQXJNCOSNYPG-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxane-4-carboxamide
CID 114097725
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703
1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
CID 115453135
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677
2-(1-aminocyclobutyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide
CID 103809951
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119684516
4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963862
1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332937

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119755575) is 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCCOCC2CC2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VBWQXJNCOSNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c14-10-13(5-1-2-6-13)12(16)15-7-8-17-9-11-3-4-11;/h11H,1-10,14H2,(H,15,16);1H.
What are the key properties of 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119755575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).