3,4-dimethylcyclohex-3-en-1-amine;ethane

C12H27N — CID 177140946

IUPAC3,4-dimethylcyclohex-3-en-1-amine;ethane
SMILESCC.CC.CC1=C(C)CC(N)CC1
InChIInChI=1S/C8H15N.2C2H6/c1-6-3-4-8(9)5-7(6)2;2*1-2/h8H,3-5,9H2,1-2H3;2*1-2H3
InChIKeyHBXUHNLUONQNRQ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.89
Rot. Bonds

About 3,4-dimethylcyclohex-3-en-1-amine;ethane

3,4-dimethylcyclohex-3-en-1-amine;ethane (PubChem CID 177140946) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3,4-dimethylcyclohex-3-en-1-amine;ethane.

Molecular Properties

Compound Name3,4-dimethylcyclohex-3-en-1-amine;ethane
PubChem CID177140946
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3,4-dimethylcyclohex-3-en-1-amine;ethane
SMILESCC.CC.CC1=C(C)CC(N)CC1
InChIInChI=1S/C8H15N.2C2H6/c1-6-3-4-8(9)5-7(6)2;2*1-2/h8H,3-5,9H2,1-2H3;2*1-2H3
InChIKeyHBXUHNLUONQNRQ-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.89
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 3,4-dimethylcyclohex-3-en-1-amine;ethane?
The IUPAC name of 3,4-dimethylcyclohex-3-en-1-amine;ethane (CID 177140946) is 3,4-dimethylcyclohex-3-en-1-amine;ethane.
What is the SMILES notation for 3,4-dimethylcyclohex-3-en-1-amine;ethane?
The canonical SMILES for 3,4-dimethylcyclohex-3-en-1-amine;ethane is CC.CC.CC1=C(C)CC(N)CC1.
What is the InChIKey of 3,4-dimethylcyclohex-3-en-1-amine;ethane?
The InChIKey is HBXUHNLUONQNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.2C2H6/c1-6-3-4-8(9)5-7(6)2;2*1-2/h8H,3-5,9H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-dimethylcyclohex-3-en-1-amine;ethane?
3,4-dimethylcyclohex-3-en-1-amine;ethane has a molecular weight of 185.35 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclohex-3-en-1-amine;ethane is sourced from PubChem (CID 177140946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).