N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine

C16H31N — CID 155020093

IUPACN-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine
SMILESC=C(NC(C)(C)C)C1CCCC(C(C)(C)C)C1
InChIInChI=1S/C16H31N/c1-12(17-16(5,6)7)13-9-8-10-14(11-13)15(2,3)4/h13-14,17H,1,8-11H2,2-7H3
InChIKeyCHMADYUHOOWDOI-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.74
Rot. Bonds2

About N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine

N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine (PubChem CID 155020093) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine
PubChem CID155020093
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine
SMILESC=C(NC(C)(C)C)C1CCCC(C(C)(C)C)C1
InChIInChI=1S/C16H31N/c1-12(17-16(5,6)7)13-9-8-10-14(11-13)15(2,3)4/h13-14,17H,1,8-11H2,2-7H3
InChIKeyCHMADYUHOOWDOI-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine (CID 155020093) is N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine is C=C(NC(C)(C)C)C1CCCC(C(C)(C)C)C1.
What is the InChIKey of N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine?
The InChIKey is CHMADYUHOOWDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(17-16(5,6)7)13-9-8-10-14(11-13)15(2,3)4/h13-14,17H,1,8-11H2,2-7H3.
What are the key properties of N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine?
N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 155020093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).