1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride

C19H29ClN2O — CID 119780045

IUPAC1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2(CNC(=O)C3(N)CC3)CCCC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14(2)15-5-7-16(8-6-15)18(9-3-4-10-18)13-21-17(22)19(20)11-12-19;/h5-8,14H,3-4,9-13,20H2,1-2H3,(H,21,22);1H
InChIKeyROYWPTGOPPVRNL-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.65
Rot. Bonds5

About 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119780045) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119780045
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2(CNC(=O)C3(N)CC3)CCCC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14(2)15-5-7-16(8-6-15)18(9-3-4-10-18)13-21-17(22)19(20)11-12-19;/h5-8,14H,3-4,9-13,20H2,1-2H3,(H,21,22);1H
InChIKeyROYWPTGOPPVRNL-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
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CID 119780053
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
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1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
CID 82083786
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
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2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119296017

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119780045) is 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride is CC(C)c1ccc(C2(CNC(=O)C3(N)CC3)CCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ROYWPTGOPPVRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-14(2)15-5-7-16(8-6-15)18(9-3-4-10-18)13-21-17(22)19(20)11-12-19;/h5-8,14H,3-4,9-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119780045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).