N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine

C17H29N — CID 70635703

IUPACN-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine
SMILESC=CC1=C(NC2CCCCC2)C(C)CC(C)(C)C1
InChIInChI=1S/C17H29N/c1-5-14-12-17(3,4)11-13(2)16(14)18-15-9-7-6-8-10-15/h5,13,15,18H,1,6-12H2,2-4H3
InChIKeyRBUOOLZICZROSY-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.80
Rot. Bonds3

About N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine

N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine (PubChem CID 70635703) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine
PubChem CID70635703
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine
SMILESC=CC1=C(NC2CCCCC2)C(C)CC(C)(C)C1
InChIInChI=1S/C17H29N/c1-5-14-12-17(3,4)11-13(2)16(14)18-15-9-7-6-8-10-15/h5,13,15,18H,1,6-12H2,2-4H3
InChIKeyRBUOOLZICZROSY-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine?
The IUPAC name of N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine (CID 70635703) is N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine.
What is the SMILES notation for N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine?
The canonical SMILES for N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine is C=CC1=C(NC2CCCCC2)C(C)CC(C)(C)C1.
What is the InChIKey of N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine?
The InChIKey is RBUOOLZICZROSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-14-12-17(3,4)11-13(2)16(14)18-15-9-7-6-8-10-15/h5,13,15,18H,1,6-12H2,2-4H3.
What are the key properties of N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine?
N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethenyl-4,4,6-trimethylcyclohexen-1-amine is sourced from PubChem (CID 70635703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).