ethene;2-methylcyclohexan-1-amine

C9H19N — CID 142086710

IUPACethene;2-methylcyclohexan-1-amine
SMILESC=C.CC1CCCCC1N
InChIInChI=1S/C7H15N.C2H4/c1-6-4-2-3-5-7(6)8;1-2/h6-7H,2-5,8H2,1H3;1-2H2
InChIKeyIQPXPSDZACFBOQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds

About ethene;2-methylcyclohexan-1-amine

ethene;2-methylcyclohexan-1-amine (PubChem CID 142086710) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethene;2-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameethene;2-methylcyclohexan-1-amine
PubChem CID142086710
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethene;2-methylcyclohexan-1-amine
SMILESC=C.CC1CCCCC1N
InChIInChI=1S/C7H15N.C2H4/c1-6-4-2-3-5-7(6)8;1-2/h6-7H,2-5,8H2,1H3;1-2H2
InChIKeyIQPXPSDZACFBOQ-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
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

cis-(1R,2S)-2-methylcyclohexan-1-amine
CID 638182
(1S)-2-methylcyclopentan-1-amine
CID 154545726
trans-(1S,2S)-2-methylcyclopentan-1-amine;hydrochloride
CID 13184369
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcyclohexane;vanadium
CID 142004480
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
2-ethyl-3-methylcycloheptan-1-amine
CID 139376160
butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine
CID 172742405
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824

Frequently Asked Questions

What is the IUPAC name of ethene;2-methylcyclohexan-1-amine?
The IUPAC name of ethene;2-methylcyclohexan-1-amine (CID 142086710) is ethene;2-methylcyclohexan-1-amine.
What is the SMILES notation for ethene;2-methylcyclohexan-1-amine?
The canonical SMILES for ethene;2-methylcyclohexan-1-amine is C=C.CC1CCCCC1N.
What is the InChIKey of ethene;2-methylcyclohexan-1-amine?
The InChIKey is IQPXPSDZACFBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H4/c1-6-4-2-3-5-7(6)8;1-2/h6-7H,2-5,8H2,1H3;1-2H2.
What are the key properties of ethene;2-methylcyclohexan-1-amine?
ethene;2-methylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylcyclohexan-1-amine is sourced from PubChem (CID 142086710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).