N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

C19H31N — CID 63822061

IUPACN-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCC2(C)CCCC2)cc1
InChIInChI=1S/C19H31N/c1-15(2)13-17-7-9-18(10-8-17)16(3)20-14-19(4)11-5-6-12-19/h7-10,15-16,20H,5-6,11-14H2,1-4H3
InChIKeyMDUVQIRLPOGFSP-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.12
Rot. Bonds6

About N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 63822061) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID63822061
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCC2(C)CCCC2)cc1
InChIInChI=1S/C19H31N/c1-15(2)13-17-7-9-18(10-8-17)16(3)20-14-19(4)11-5-6-12-19/h7-10,15-16,20H,5-6,11-14H2,1-4H3
InChIKeyMDUVQIRLPOGFSP-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903167
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-2-ylethanamine
CID 63821863
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
CID 107270585
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
CID 63821311
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate
CID 103250815
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 63822061) is N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(C)NCC2(C)CCCC2)cc1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is MDUVQIRLPOGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)13-17-7-9-18(10-8-17)16(3)20-14-19(4)11-5-6-12-19/h7-10,15-16,20H,5-6,11-14H2,1-4H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 63822061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).