(1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine

C12H23N — CID 134994238

IUPAC(1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(C)[C@H](N)C1CCCCC1
InChIInChI=1S/C12H23N/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h4,10-11H,1,5-9,13H2,2-3H3/t11-/m1/s1
InChIKeyCBGNDGWSCCMTMI-LLVKDONJSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds3

About (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine

(1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine (PubChem CID 134994238) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine
PubChem CID134994238
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(C)[C@H](N)C1CCCCC1
InChIInChI=1S/C12H23N/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h4,10-11H,1,5-9,13H2,2-3H3/t11-/m1/s1
InChIKeyCBGNDGWSCCMTMI-LLVKDONJSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine?
The IUPAC name of (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine (CID 134994238) is (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine?
The canonical SMILES for (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine is C=CC(C)(C)[C@H](N)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine?
The InChIKey is CBGNDGWSCCMTMI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h4,10-11H,1,5-9,13H2,2-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine?
(1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-2,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 134994238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).