N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine

C18H29N — CID 82132708

IUPACN-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
SMILESCc1ccc(C(C)(C)C)cc1CNC1CCCCC1
InChIInChI=1S/C18H29N/c1-14-10-11-16(18(2,3)4)12-15(14)13-19-17-8-6-5-7-9-17/h10-12,17,19H,5-9,13H2,1-4H3
InChIKeyNYOVYYMNFCGZST-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.71
Rot. Bonds3

About N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine

N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine (PubChem CID 82132708) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
PubChem CID82132708
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
SMILESCc1ccc(C(C)(C)C)cc1CNC1CCCCC1
InChIInChI=1S/C18H29N/c1-14-10-11-16(18(2,3)4)12-15(14)13-19-17-8-6-5-7-9-17/h10-12,17,19H,5-9,13H2,1-4H3
InChIKeyNYOVYYMNFCGZST-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 82129150
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
4-tert-butyl-2-[(cyclohexylamino)methyl]-6-iodophenol;hydrochloride
CID 12761854
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
CID 79803205
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine
CID 857469
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine (CID 82132708) is N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine is Cc1ccc(C(C)(C)C)cc1CNC1CCCCC1.
What is the InChIKey of N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine?
The InChIKey is NYOVYYMNFCGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-10-11-16(18(2,3)4)12-15(14)13-19-17-8-6-5-7-9-17/h10-12,17,19H,5-9,13H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine?
N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine has a molecular weight of 259.44 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 82132708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).