4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine

C17H27NO — CID 87885155

IUPAC4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine
SMILESCONC1CCC(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18-19-4/h5-7,12-13,16,18H,8-11H2,1-4H3
InChIKeyWMCHQPQIMCYEAF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.16
Rot. Bonds3

About 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine

4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine (PubChem CID 87885155) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine
PubChem CID87885155
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine
SMILESCONC1CCC(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18-19-4/h5-7,12-13,16,18H,8-11H2,1-4H3
InChIKeyWMCHQPQIMCYEAF-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine?
The IUPAC name of 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine (CID 87885155) is 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine.
What is the SMILES notation for 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine?
The canonical SMILES for 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine is CONC1CCC(c2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine?
The InChIKey is WMCHQPQIMCYEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18-19-4/h5-7,12-13,16,18H,8-11H2,1-4H3.
What are the key properties of 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine?
4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine is sourced from PubChem (CID 87885155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).