1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

C19H31N — CID 105050783

IUPAC1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCCC1(C(NC)c2cccc(CC(C)C)c2)CCCC1
InChIInChI=1S/C19H31N/c1-5-19(11-6-7-12-19)18(20-4)17-10-8-9-16(14-17)13-15(2)3/h8-10,14-15,18,20H,5-7,11-13H2,1-4H3
InChIKeyALEQKWGUBUVLDD-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.12
Rot. Bonds6

About 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 105050783) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID105050783
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCCC1(C(NC)c2cccc(CC(C)C)c2)CCCC1
InChIInChI=1S/C19H31N/c1-5-19(11-6-7-12-19)18(20-4)17-10-8-9-16(14-17)13-15(2)3/h8-10,14-15,18,20H,5-7,11-13H2,1-4H3
InChIKeyALEQKWGUBUVLDD-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,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
CID 116544690
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
1-(1-ethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854871
1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544532
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (CID 105050783) is 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is CCC1(C(NC)c2cccc(CC(C)C)c2)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is ALEQKWGUBUVLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-19(11-6-7-12-19)18(20-4)17-10-8-9-16(14-17)13-15(2)3/h8-10,14-15,18,20H,5-7,11-13H2,1-4H3.
What are the key properties of 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine 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 1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 105050783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).