3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine

C12H23N — CID 20692202

IUPAC3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9(2)12(5)7-10(13)6-11(3,4)8-12/h10H,1,6-8,13H2,2-5H3
InChIKeyPXRCUSHKUIOXDK-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds1

About 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine

3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 20692202) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID20692202
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9(2)12(5)7-10(13)6-11(3,4)8-12/h10H,1,6-8,13H2,2-5H3
InChIKeyPXRCUSHKUIOXDK-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.11
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-5-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine (CID 20692202) is 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)C1(C)CC(N)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is PXRCUSHKUIOXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12(5)7-10(13)6-11(3,4)8-12/h10H,1,6-8,13H2,2-5H3.
What are the key properties of 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine?
3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 20692202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).