1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide

C19H26N2O — CID 115056079

IUPAC1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESNC1(Cc2cccc(C3(C(=O)NC4CCCC4)CC3)c2)CC1
InChIInChI=1S/C19H26N2O/c20-18(8-9-18)13-14-4-3-5-15(12-14)19(10-11-19)17(22)21-16-6-1-2-7-16/h3-5,12,16H,1-2,6-11,13,20H2,(H,21,22)
InChIKeyDVEYWQAEIGMZAR-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.81
Rot. Bonds5

About 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide

1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide (PubChem CID 115056079) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
PubChem CID115056079
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESNC1(Cc2cccc(C3(C(=O)NC4CCCC4)CC3)c2)CC1
InChIInChI=1S/C19H26N2O/c20-18(8-9-18)13-14-4-3-5-15(12-14)19(10-11-19)17(22)21-16-6-1-2-7-16/h3-5,12,16H,1-2,6-11,13,20H2,(H,21,22)
InChIKeyDVEYWQAEIGMZAR-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
CID 115056053
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
CID 115056055
[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 115056085
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
CID 115055777
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
N-(4-aminocyclohexyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119474298
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
The IUPAC name of 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide (CID 115056079) is 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide is NC1(Cc2cccc(C3(C(=O)NC4CCCC4)CC3)c2)CC1.
What is the InChIKey of 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
The InChIKey is DVEYWQAEIGMZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c20-18(8-9-18)13-14-4-3-5-15(12-14)19(10-11-19)17(22)21-16-6-1-2-7-16/h3-5,12,16H,1-2,6-11,13,20H2,(H,21,22).
What are the key properties of 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide is sourced from PubChem (CID 115056079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).