1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine

C16H31N — CID 81030458

IUPAC1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESC=CCCC1CC(C(C)(C)C)CCC1CNC
InChIInChI=1S/C16H31N/c1-6-7-8-13-11-15(16(2,3)4)10-9-14(13)12-17-5/h6,13-15,17H,1,7-12H2,2-5H3
InChIKeyKZUAGHQLTSTDCN-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.25
Rot. Bonds5

About 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine

1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine (PubChem CID 81030458) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
PubChem CID81030458
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESC=CCCC1CC(C(C)(C)C)CCC1CNC
InChIInChI=1S/C16H31N/c1-6-7-8-13-11-15(16(2,3)4)10-9-14(13)12-17-5/h6,13-15,17H,1,7-12H2,2-5H3
InChIKeyKZUAGHQLTSTDCN-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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-(2-but-3-enylcyclopentyl)-N-methylmethanamine
CID 81034275
1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030981
4-tert-butyl-2-pent-4-enylcyclohexane-1-carboxylic acid
CID 81021329
1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030835
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443
1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025372
1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025461
1-[4-tert-butyl-2-(3,5-difluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81025455
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
2-but-3-enyl-4-tert-butylcyclohexan-1-one
CID 13032700
N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine
CID 104813978
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
CID 81021865

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine (CID 81030458) is 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine is C=CCCC1CC(C(C)(C)C)CCC1CNC.
What is the InChIKey of 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine?
The InChIKey is KZUAGHQLTSTDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-6-7-8-13-11-15(16(2,3)4)10-9-14(13)12-17-5/h6,13-15,17H,1,7-12H2,2-5H3.
What are the key properties of 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine?
1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine has a molecular weight of 237.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 81030458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).