N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide

C16H20N2O — CID 107181380

IUPACN-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cccc(C#CCN)c1
InChIInChI=1S/C16H20N2O/c1-12-5-2-9-15(12)16(19)18-14-8-3-6-13(11-14)7-4-10-17/h3,6,8,11-12,15H,2,5,9-10,17H2,1H3,(H,18,19)
InChIKeyOFOYJWNCVMGZPI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.37
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide

N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107181380) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107181380
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cccc(C#CCN)c1
InChIInChI=1S/C16H20N2O/c1-12-5-2-9-15(12)16(19)18-14-8-3-6-13(11-14)7-4-10-17/h3,6,8,11-12,15H,2,5,9-10,17H2,1H3,(H,18,19)
InChIKeyOFOYJWNCVMGZPI-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60803415
N-[3-(3-aminoprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477904
N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide
CID 60803928
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295
N-[3-(3-aminoprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828219
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide
CID 107181332
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181275
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181329
1-[3-(3-aminoprop-1-ynyl)phenyl]-3-(3-chlorophenyl)urea
CID 60813427
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide (CID 107181380) is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1cccc(C#CCN)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is OFOYJWNCVMGZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-2-9-15(12)16(19)18-14-8-3-6-13(11-14)7-4-10-17/h3,6,8,11-12,15H,2,5,9-10,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).