4-butyl-N,N-dimethylcyclohex-3-en-1-amine

C12H23N — CID 91423803

IUPAC4-butyl-N,N-dimethylcyclohex-3-en-1-amine
SMILESCCCCC1=CCC(N(C)C)CC1
InChIInChI=1S/C12H23N/c1-4-5-6-11-7-9-12(10-8-11)13(2)3/h7,12H,4-6,8-10H2,1-3H3
InChIKeyBASVOWHVSXCMDU-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds4

About 4-butyl-N,N-dimethylcyclohex-3-en-1-amine

4-butyl-N,N-dimethylcyclohex-3-en-1-amine (PubChem CID 91423803) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-butyl-N,N-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-butyl-N,N-dimethylcyclohex-3-en-1-amine
PubChem CID91423803
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-butyl-N,N-dimethylcyclohex-3-en-1-amine
SMILESCCCCC1=CCC(N(C)C)CC1
InChIInChI=1S/C12H23N/c1-4-5-6-11-7-9-12(10-8-11)13(2)3/h7,12H,4-6,8-10H2,1-3H3
InChIKeyBASVOWHVSXCMDU-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
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 4-butyl-N,N-dimethylcyclohex-3-en-1-amine?
The IUPAC name of 4-butyl-N,N-dimethylcyclohex-3-en-1-amine (CID 91423803) is 4-butyl-N,N-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-butyl-N,N-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for 4-butyl-N,N-dimethylcyclohex-3-en-1-amine is CCCCC1=CCC(N(C)C)CC1.
What is the InChIKey of 4-butyl-N,N-dimethylcyclohex-3-en-1-amine?
The InChIKey is BASVOWHVSXCMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-6-11-7-9-12(10-8-11)13(2)3/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of 4-butyl-N,N-dimethylcyclohex-3-en-1-amine?
4-butyl-N,N-dimethylcyclohex-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 91423803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).