1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine

C19H31N — CID 43484503

IUPAC1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(C)C)cc1C(C)C)C1CCCC1
InChIInChI=1S/C19H31N/c1-13(2)16-10-11-17(18(12-16)14(3)4)19(20-5)15-8-6-7-9-15/h10-15,19-20H,6-9H2,1-5H3
InChIKeyPALPKRQUPBKTRD-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.38
Rot. Bonds5

About 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine

1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine (PubChem CID 43484503) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
PubChem CID43484503
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(C)C)cc1C(C)C)C1CCCC1
InChIInChI=1S/C19H31N/c1-13(2)16-10-11-17(18(12-16)14(3)4)19(20-5)15-8-6-7-9-15/h10-15,19-20H,6-9H2,1-5H3
InChIKeyPALPKRQUPBKTRD-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine
CID 43491289
1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 63509253
cyclohexyl-[2,4-di(propan-2-yl)phenyl]methanol
CID 63426584
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43103205
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 63426963
N-cyclohexyl-2,5-di(propan-2-yl)aniline
CID 170213032
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine (CID 43484503) is 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine is CNC(c1ccc(C(C)C)cc1C(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is PALPKRQUPBKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)16-10-11-17(18(12-16)14(3)4)19(20-5)15-8-6-7-9-15/h10-15,19-20H,6-9H2,1-5H3.
What are the key properties of 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine?
1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43484503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).