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

C18H27NO — CID 91120317

IUPAC4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine
SMILESCCONC1=CCC(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H27NO/c1-5-20-19-17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(2,3)4/h6-8,11,13-14,19H,5,9-10,12H2,1-4H3
InChIKeyMOVWURCUIKIEBO-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.68
Rot. Bonds4

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

4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine (PubChem CID 91120317) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine
PubChem CID91120317
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine
SMILESCCONC1=CCC(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H27NO/c1-5-20-19-17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(2,3)4/h6-8,11,13-14,19H,5,9-10,12H2,1-4H3
InChIKeyMOVWURCUIKIEBO-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.68
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

1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine
CID 57050061
3-(4,4-Diphenylbutyl)-2,5-dihydro-1,2-oxazole
CID 57185312
(Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine
CID 57243652
1-(3-methylphenyl)-N-propoxyethenamine
CID 57244630
N-butoxy-1-(3-methylphenyl)ethenamine
CID 57257278
3-trityl-2H-oxazine
CID 70579892
4-(3-tert-butylphenyl)-N-methoxycyclohexan-1-amine
CID 87885155
N-ethoxy-3,3,3-triphenylprop-1-en-2-amine
CID 90931753
4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine
CID 91165288
2-[[4-(3-Tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol
CID 91193970
8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine
CID 91233442
N-methoxy-3,3,3-triphenylprop-1-en-2-amine
CID 91304465

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine?
The IUPAC name of 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine (CID 91120317) is 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine.
What is the SMILES notation for 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine?
The canonical SMILES for 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine is CCONC1=CCC(c2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine?
The InChIKey is MOVWURCUIKIEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-20-19-17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(2,3)4/h6-8,11,13-14,19H,5,9-10,12H2,1-4H3.
What are the key properties of 4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine?
4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.68, 4 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-ethoxycyclohexen-1-amine is sourced from PubChem (CID 91120317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).