N-ethenyl-4-methylcyclohexan-1-amine

C9H17N — CID 58476110

IUPACN-ethenyl-4-methylcyclohexan-1-amine
SMILESC=CNC1CCC(C)CC1
InChIInChI=1S/C9H17N/c1-3-10-9-6-4-8(2)5-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyVYKORTRJXQFNJI-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds2

About N-ethenyl-4-methylcyclohexan-1-amine

N-ethenyl-4-methylcyclohexan-1-amine (PubChem CID 58476110) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethenyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethenyl-4-methylcyclohexan-1-amine
PubChem CID58476110
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-ethenyl-4-methylcyclohexan-1-amine
SMILESC=CNC1CCC(C)CC1
InChIInChI=1S/C9H17N/c1-3-10-9-6-4-8(2)5-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyVYKORTRJXQFNJI-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methylcyclohexan-1-amine?
The IUPAC name of N-ethenyl-4-methylcyclohexan-1-amine (CID 58476110) is N-ethenyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethenyl-4-methylcyclohexan-1-amine?
The canonical SMILES for N-ethenyl-4-methylcyclohexan-1-amine is C=CNC1CCC(C)CC1.
What is the InChIKey of N-ethenyl-4-methylcyclohexan-1-amine?
The InChIKey is VYKORTRJXQFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-10-9-6-4-8(2)5-7-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-ethenyl-4-methylcyclohexan-1-amine?
N-ethenyl-4-methylcyclohexan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 58476110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).