(2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine

C14H25N — CID 70971272

IUPAC(2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCCC[C@H]1C1C=CCCC1
InChIInChI=1S/C14H25N/c1-15(2)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h4,8,12-14H,3,5-7,9-11H2,1-2H3/t12?,13-,14?/m0/s1
InChIKeyWJQCGRBUAHBNOC-MOKVOYLWSA-N
MW207.36 g/mol
LogP3.46
Rot. Bonds2

About (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine

(2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine (PubChem CID 70971272) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine
PubChem CID70971272
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCCC[C@H]1C1C=CCCC1
InChIInChI=1S/C14H25N/c1-15(2)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h4,8,12-14H,3,5-7,9-11H2,1-2H3/t12?,13-,14?/m0/s1
InChIKeyWJQCGRBUAHBNOC-MOKVOYLWSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.46
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 (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine (CID 70971272) is (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCCC[C@H]1C1C=CCCC1.
What is the InChIKey of (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine?
The InChIKey is WJQCGRBUAHBNOC-MOKVOYLWSA-N. The full InChI is InChI=1S/C14H25N/c1-15(2)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h4,8,12-14H,3,5-7,9-11H2,1-2H3/t12?,13-,14?/m0/s1.
What are the key properties of (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine?
(2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 70971272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).