1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine

C18H35N — CID 79185086

IUPAC1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35N/c1-7-12-19-17(13-14(2)3)15-8-10-16(11-9-15)18(4,5)6/h15-17,19H,2,7-13H2,1,3-6H3
InChIKeyXPAASRJGTSDUKZ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.17
Rot. Bonds6

About 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine

1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine (PubChem CID 79185086) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
PubChem CID79185086
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35N/c1-7-12-19-17(13-14(2)3)15-8-10-16(11-9-15)18(4,5)6/h15-17,19H,2,7-13H2,1,3-6H3
InChIKeyXPAASRJGTSDUKZ-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
CID 79179369
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004175
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79185600
1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466187
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
3-methyl-1-(2-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 107189757
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
N-ethyl-3-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186658
1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79185954
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
CID 116723864
1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine
CID 79574193

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine (CID 79185086) is 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
The InChIKey is XPAASRJGTSDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-7-12-19-17(13-14(2)3)15-8-10-16(11-9-15)18(4,5)6/h15-17,19H,2,7-13H2,1,3-6H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79185086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).