N-(1-cyclohexylethenyl)-2-methylpropan-2-amine

C12H23N — CID 139362557

IUPACN-(1-cyclohexylethenyl)-2-methylpropan-2-amine
SMILESC=C(NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H23N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11,13H,1,5-9H2,2-4H3
InChIKeyXZWPUAKJUQUEBW-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.47
Rot. Bonds2

About N-(1-cyclohexylethenyl)-2-methylpropan-2-amine

N-(1-cyclohexylethenyl)-2-methylpropan-2-amine (PubChem CID 139362557) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-2-methylpropan-2-amine
PubChem CID139362557
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(1-cyclohexylethenyl)-2-methylpropan-2-amine
SMILESC=C(NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H23N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11,13H,1,5-9H2,2-4H3
InChIKeyXZWPUAKJUQUEBW-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?
The IUPAC name of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine (CID 139362557) is N-(1-cyclohexylethenyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(1-cyclohexylethenyl)-2-methylpropan-2-amine is C=C(NC(C)(C)C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?
The InChIKey is XZWPUAKJUQUEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11,13H,1,5-9H2,2-4H3.
What are the key properties of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?
N-(1-cyclohexylethenyl)-2-methylpropan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 139362557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).