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

C17H25NO — CID 91165288

IUPAC4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine
SMILESCONC1=CCC(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H25NO/c1-17(2,3)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18-19-4/h5-7,10,12-13,18H,8-9,11H2,1-4H3
InChIKeyHEZVBXHMDLBQHW-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.29
Rot. Bonds3

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

4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine (PubChem CID 91165288) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine
PubChem CID91165288
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine
SMILESCONC1=CCC(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H25NO/c1-17(2,3)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18-19-4/h5-7,10,12-13,18H,8-9,11H2,1-4H3
InChIKeyHEZVBXHMDLBQHW-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.29
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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Related Compounds

(3Z,5Z)-5-ethenyl-2-[3-fluoro-5-(3-methylbutyl)phenyl]-10,10-dimethyldodeca-3,5-dien-6-amine
CID 169948418
2,3,3-Trimethyl-4-(3-methylphenyl)pentan-2-amine
CID 54575059
1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine
CID 57050061
3-(4,4-Diphenylbutyl)-2,5-dihydro-1,2-oxazole
CID 57185312
1-(4-tert-butylphenyl)-N-methoxyethenamine
CID 57314187
3-(4-tert-butylphenyl)-N-methoxy-2-methylpropan-1-amine
CID 58443668
3-Butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine
CID 69135872
3-Hexyl-2-phenylcyclohexen-1-amine
CID 70105070
5-(3-Tert-butylphenyl)-2-methylpentan-2-amine
CID 70645538
9,9-Dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine
CID 71235163
4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine
CID 87885155
N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine
CID 87885157

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine?
The IUPAC name of 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine (CID 91165288) is 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine.
What is the SMILES notation for 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine?
The canonical SMILES for 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine is CONC1=CCC(c2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine?
The InChIKey is HEZVBXHMDLBQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2,3)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18-19-4/h5-7,10,12-13,18H,8-9,11H2,1-4H3.
What are the key properties of 4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine?
4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.29, 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-methoxycyclohexen-1-amine is sourced from PubChem (CID 91165288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).