4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine

C18H29N — CID 116926303

IUPAC4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N/c1-18(2,3)16-9-5-14(6-10-16)13-15-7-11-17(19-4)12-8-15/h5-6,9-10,15,17,19H,7-8,11-13H2,1-4H3
InChIKeyPVPIBKMSRTWPGY-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.30
Rot. Bonds3

About 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine

4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116926303) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116926303
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N/c1-18(2,3)16-9-5-14(6-10-16)13-15-7-11-17(19-4)12-8-15/h5-6,9-10,15,17,19H,7-8,11-13H2,1-4H3
InChIKeyPVPIBKMSRTWPGY-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
CID 116926358
N-methyl-4-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 73440193
3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
CID 64506233
4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926323
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381555
2-[(4-tert-butylphenyl)methyl]-N-methylcycloheptan-1-amine
CID 63403694
N-methyl-4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926389
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
2-amino-5-[[4-(methylamino)cyclohexyl]methyl]benzenethiol
CID 116998405
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine
CID 116926361

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116926303) is 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is PVPIBKMSRTWPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-9-5-14(6-10-16)13-15-7-11-17(19-4)12-8-15/h5-6,9-10,15,17,19H,7-8,11-13H2,1-4H3.
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116926303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).