1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine

C14H27N — CID 123276142

IUPAC1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine
SMILESCCCC(C1CCC(C)=CC1C)N(C)C
InChIInChI=1S/C14H27N/c1-6-7-14(15(4)5)13-9-8-11(2)10-12(13)3/h10,12-14H,6-9H2,1-5H3
InChIKeyXZLQQAKNYCQENI-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine

1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 123276142) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID123276142
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine
SMILESCCCC(C1CCC(C)=CC1C)N(C)C
InChIInChI=1S/C14H27N/c1-6-7-14(15(4)5)13-9-8-11(2)10-12(13)3/h10,12-14H,6-9H2,1-5H3
InChIKeyXZLQQAKNYCQENI-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
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 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine (CID 123276142) is 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine is CCCC(C1CCC(C)=CC1C)N(C)C.
What is the InChIKey of 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is XZLQQAKNYCQENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-7-14(15(4)5)13-9-8-11(2)10-12(13)3/h10,12-14H,6-9H2,1-5H3.
What are the key properties of 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine?
1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 123276142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).