N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide

C15H22N2O — CID 54936832

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-11(13-8-6-12(10-16)7-9-13)17-15(18)14-4-2-3-5-14/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18)
InChIKeyCHEJTXCBOLFNHQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide

N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide (PubChem CID 54936832) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
PubChem CID54936832
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-11(13-8-6-12(10-16)7-9-13)17-15(18)14-4-2-3-5-14/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18)
InChIKeyCHEJTXCBOLFNHQ-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103161396
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 120893433
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
CID 58417527
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide (CID 54936832) is N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide?
The InChIKey is CHEJTXCBOLFNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(13-8-6-12(10-16)7-9-13)17-15(18)14-4-2-3-5-14/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 54936832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).