3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine

C12H23N — CID 43177090

IUPAC3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CC(C)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-5-6-13-11-7-10(2)8-12(3,4)9-11/h5,10-11,13H,1,6-9H2,2-4H3
InChIKeyHLNYTWGDNASQFD-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds3

About 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine

3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 43177090) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID43177090
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CC(C)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-5-6-13-11-7-10(2)8-12(3,4)9-11/h5,10-11,13H,1,6-9H2,2-4H3
InChIKeyHLNYTWGDNASQFD-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine (CID 43177090) is 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine is C=CCNC1CC(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is HLNYTWGDNASQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-13-11-7-10(2)8-12(3,4)9-11/h5,10-11,13H,1,6-9H2,2-4H3.
What are the key properties of 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine?
3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 43177090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).