1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine

C13H25N — CID 81030775

IUPAC1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
SMILESC=CCC1CC(C)(C)CCC1CNC
InChIInChI=1S/C13H25N/c1-5-6-11-9-13(2,3)8-7-12(11)10-14-4/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyLEBONUQUXWTUSI-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.22
Rot. Bonds4

About 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine

1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine (PubChem CID 81030775) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
PubChem CID81030775
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
SMILESC=CCC1CC(C)(C)CCC1CNC
InChIInChI=1S/C13H25N/c1-5-6-11-9-13(2,3)8-7-12(11)10-14-4/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyLEBONUQUXWTUSI-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.22
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-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031296
1-[4,4-dimethyl-2-(3-methylsulfonylpropyl)cyclohexyl]-N-methylmethanamine
CID 81030474
1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735635
1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 82935731
[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene
CID 173403307
1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030934
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031224
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114247026
1-[2-[(1-butan-2-ylpyrazol-3-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81022175
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine (CID 81030775) is 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine is C=CCC1CC(C)(C)CCC1CNC.
What is the InChIKey of 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine?
The InChIKey is LEBONUQUXWTUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-6-11-9-13(2,3)8-7-12(11)10-14-4/h5,11-12,14H,1,6-10H2,2-4H3.
What are the key properties of 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine?
1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 81030775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).