4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine

C13H25N — CID 166844124

IUPAC4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(C)CCC1(N)C(C)C
InChIInChI=1S/C13H25N/c1-5-6-12-9-11(4)7-8-13(12,14)10(2)3/h5,10-12H,1,6-9,14H2,2-4H3
InChIKeyWCRUMVLAGCBXMQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds3

About 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine

4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine (PubChem CID 166844124) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine
PubChem CID166844124
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(C)CCC1(N)C(C)C
InChIInChI=1S/C13H25N/c1-5-6-12-9-11(4)7-8-13(12,14)10(2)3/h5,10-12H,1,6-9,14H2,2-4H3
InChIKeyWCRUMVLAGCBXMQ-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyclohexylpent-4-en-2-amine
CID 130863839
(2R)-2-cyclohexylpent-4-en-2-amine
CID 131190133
1,2-Bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride
CID 18668092
1,2-Bis(prop-2-enyl)cyclohexan-1-amine
CID 18668093
4-Tert-butyl-1-prop-2-enylcyclohexan-1-amine
CID 59741663
trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine
CID 67888872
(1S,2S,6R)-2,6-dimethyl-3-methylidene-1-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 68320941
1,2,2-Tris(prop-2-enyl)cyclohexan-1-amine
CID 68420035
3-Cyclohexylhex-5-en-3-amine
CID 68639180
1,2,4-Tris(ethenyl)cyclohexan-1-amine
CID 77378303
4-Methyl-5-prop-2-enylnon-1-en-4-amine
CID 87204497
4,5-Bis(prop-2-enyl)non-1-en-4-amine
CID 87204498

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine (CID 166844124) is 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine is C=CCC1CC(C)CCC1(N)C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine?
The InChIKey is WCRUMVLAGCBXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-6-12-9-11(4)7-8-13(12,14)10(2)3/h5,10-12H,1,6-9,14H2,2-4H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine?
4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 166844124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).