N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide

C17H26N2O — CID 107174469

IUPACN-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(N(CCCN)C(=O)C2CCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13-7-9-15(10-8-13)19(12-4-11-18)17(20)16-6-3-5-14(16)2/h7-10,14,16H,3-6,11-12,18H2,1-2H3
InChIKeyNGGSXNVNUDAPOQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.11
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide

N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 107174469) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID107174469
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(N(CCCN)C(=O)C2CCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13-7-9-15(10-8-13)19(12-4-11-18)17(20)16-6-3-5-14(16)2/h7-10,14,16H,3-6,11-12,18H2,1-2H3
InChIKeyNGGSXNVNUDAPOQ-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 106825938
N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
CID 79750074
N-(2-aminoethyl)-N-cyclobutyl-2-methylcyclopentane-1-carboxamide
CID 107184819
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
2-amino-N-butyl-N-phenylcyclopentane-1-carboxamide
CID 64850280
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 43135941
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
CID 63011144

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide (CID 107174469) is N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(N(CCCN)C(=O)C2CCCC2C)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is NGGSXNVNUDAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-9-15(10-8-13)19(12-4-11-18)17(20)16-6-3-5-14(16)2/h7-10,14,16H,3-6,11-12,18H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107174469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).