1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine

C19H31N — CID 65412580

IUPAC1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31N/c1-6-14-7-8-16(13-14)18(20-5)15-9-11-17(12-10-15)19(2,3)4/h9-12,14,16,18,20H,6-8,13H2,1-5H3
InChIKeyHPZDKCVWTAWOQK-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.07
Rot. Bonds4

About 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine

1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 65412580) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
PubChem CID65412580
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31N/c1-6-14-7-8-16(13-14)18(20-5)15-9-11-17(12-10-15)19(2,3)4/h9-12,14,16,18,20H,6-8,13H2,1-5H3
InChIKeyHPZDKCVWTAWOQK-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(4-tert-butylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231567
1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107289041
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433
[(3-ethylcyclopentyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105233695
N-[(3-ethylcyclopentyl)-(4-ethylphenyl)methyl]ethanamine
CID 65411617
1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231705
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine (CID 65412580) is 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine is CCC1CCC(C(NC)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is HPZDKCVWTAWOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-14-7-8-16(13-14)18(20-5)15-9-11-17(12-10-15)19(2,3)4/h9-12,14,16,18,20H,6-8,13H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 65412580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).