5-methyl-1-prop-2-enylcyclooctan-1-amine

C12H23N — CID 143705620

IUPAC5-methyl-1-prop-2-enylcyclooctan-1-amine
SMILESC=CCC1(N)CCCC(C)CCC1
InChIInChI=1S/C12H23N/c1-3-8-12(13)9-4-6-11(2)7-5-10-12/h3,11H,1,4-10,13H2,2H3
InChIKeyXXFLNQLASPYTRA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.25
Rot. Bonds2

About 5-methyl-1-prop-2-enylcyclooctan-1-amine

5-methyl-1-prop-2-enylcyclooctan-1-amine (PubChem CID 143705620) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enylcyclooctan-1-amine.

Molecular Properties

Compound Name5-methyl-1-prop-2-enylcyclooctan-1-amine
PubChem CID143705620
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-methyl-1-prop-2-enylcyclooctan-1-amine
SMILESC=CCC1(N)CCCC(C)CCC1
InChIInChI=1S/C12H23N/c1-3-8-12(13)9-4-6-11(2)7-5-10-12/h3,11H,1,4-10,13H2,2H3
InChIKeyXXFLNQLASPYTRA-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.25
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

1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
2-(1-amino-4-methylcyclohexyl)acetaldehyde
CID 167728630
3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
CID 4712374
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719
1-(2-ethylbutyl)-4-methylcycloheptan-1-amine
CID 82919408
but-1-ene;ethane;methylcyclopentane
CID 153403390
4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 164659630
3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
1,4-dimethylcycloheptan-1-amine
CID 65080006
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-2-enylcyclooctan-1-amine?
The IUPAC name of 5-methyl-1-prop-2-enylcyclooctan-1-amine (CID 143705620) is 5-methyl-1-prop-2-enylcyclooctan-1-amine.
What is the SMILES notation for 5-methyl-1-prop-2-enylcyclooctan-1-amine?
The canonical SMILES for 5-methyl-1-prop-2-enylcyclooctan-1-amine is C=CCC1(N)CCCC(C)CCC1.
What is the InChIKey of 5-methyl-1-prop-2-enylcyclooctan-1-amine?
The InChIKey is XXFLNQLASPYTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-8-12(13)9-4-6-11(2)7-5-10-12/h3,11H,1,4-10,13H2,2H3.
What are the key properties of 5-methyl-1-prop-2-enylcyclooctan-1-amine?
5-methyl-1-prop-2-enylcyclooctan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enylcyclooctan-1-amine is sourced from PubChem (CID 143705620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).