1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine

C18H29N — CID 81027973

IUPAC1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19-4/h9-12,15,17,19H,5-8,13H2,1-4H3
InChIKeyFFFRXBDRMVLQRC-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.48
Rot. Bonds3

About 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine

1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81027973) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81027973
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19-4/h9-12,15,17,19H,5-8,13H2,1-4H3
InChIKeyFFFRXBDRMVLQRC-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine (CID 81027973) is 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine is CNCC1CCCCC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is FFFRXBDRMVLQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19-4/h9-12,15,17,19H,5-8,13H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine?
1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81027973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).