3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

C15H27ClN2O2 — CID 119715175

IUPAC3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N(CC2CCOC2)C2CC2)C1
InChIInChI=1S/C15H26N2O2.ClH/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11;/h11-14H,1-10,16H2;1H
InChIKeyYDBXSIQJZKWOAU-UHFFFAOYSA-N
MW302.85 g/mol
LogP1.95
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119715175) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119715175
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC Name3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N(CC2CCOC2)C2CC2)C1
InChIInChI=1S/C15H26N2O2.ClH/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11;/h11-14H,1-10,16H2;1H
InChIKeyYDBXSIQJZKWOAU-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119775453
N-cyclopropyl-N-(oxolan-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119284851
3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119805598
3-amino-N-cyclohexyl-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119674160
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798090
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897515
3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
CID 55147699
N-cyclopropyl-4-ethyl-N-(oxolan-3-ylmethyl)piperidine-2-carboxamide
CID 114428560
1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 115452951
3-amino-N-(oxolan-3-yl)-N-(2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119820576

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119715175) is 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)N(CC2CCOC2)C2CC2)C1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YDBXSIQJZKWOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.ClH/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11;/h11-14H,1-10,16H2;1H.
What are the key properties of 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119715175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).