1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine

C13H25N — CID 164659902

IUPAC1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine
SMILESC=C(C)CC1(N)CCC(C(C)C)CC1
InChIInChI=1S/C13H25N/c1-10(2)9-13(14)7-5-12(6-8-13)11(3)4/h11-12H,1,5-9,14H2,2-4H3
InChIKeyBLVACLCKXQDYNF-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine

1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 164659902) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID164659902
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine
SMILESC=C(C)CC1(N)CCC(C(C)C)CC1
InChIInChI=1S/C13H25N/c1-10(2)9-13(14)7-5-12(6-8-13)11(3)4/h11-12H,1,5-9,14H2,2-4H3
InChIKeyBLVACLCKXQDYNF-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 11390413
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
(2S)-2-cyclohexylpent-4-en-2-amine
CID 130863839
(2R)-2-cyclohexylpent-4-en-2-amine
CID 131190133
(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane
CID 134939726
[R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene
CID 163105770
4-(3-Methylbut-1-en-2-yl)cyclohexan-1-amine
CID 58274567
4-Tert-butyl-1-prop-2-enylcyclohexan-1-amine
CID 59741663
3-Cyclohexylhex-5-en-3-amine
CID 68639180
(4-Prop-1-en-2-ylcyclohexyl)methanamine
CID 85957950
2,4-Dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine
CID 87859057
1-(4-Propan-2-ylcyclohexyl)ethenamine
CID 89771135

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine (CID 164659902) is 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine is C=C(C)CC1(N)CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BLVACLCKXQDYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)9-13(14)7-5-12(6-8-13)11(3)4/h11-12H,1,5-9,14H2,2-4H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine?
1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 164659902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).