1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine

C16H31N — CID 65400751

IUPAC1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-6-7-8-15(17-5)13-9-11-14(12-10-13)16(2,3)4/h6,13-15,17H,1,7-12H2,2-5H3
InChIKeyTYZBYZJHGQDAQH-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine

1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine (PubChem CID 65400751) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
PubChem CID65400751
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-6-7-8-15(17-5)13-9-11-14(12-10-13)16(2,3)4/h6,13-15,17H,1,7-12H2,2-5H3
InChIKeyTYZBYZJHGQDAQH-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.39
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-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
1-(4-tert-butylcyclohexyl)oct-7-enylhydrazine
CID 107012511
1-(4-tert-butylcyclohexyl)but-3-enylhydrazine
CID 105232743
1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311638
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
CID 104986932
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
CID 104576070
1-(3-ethylcyclohexyl)-N-methylhex-5-en-1-amine
CID 65414544
N-methyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107012091
1-(4-tert-butylcyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010665

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine (CID 65400751) is 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine is C=CCCC(NC)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine?
The InChIKey is TYZBYZJHGQDAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-6-7-8-15(17-5)13-9-11-14(12-10-13)16(2,3)4/h6,13-15,17H,1,7-12H2,2-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine?
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 65400751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).