1-(2-methyliminocyclohexylidene)ethanamine

C9H16N2 — CID 148723804

IUPAC1-(2-methyliminocyclohexylidene)ethanamine
SMILESC/N=C1\CCCCC1=C(C)N
InChIInChI=1S/C9H16N2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,10H2,1-2H3/b8-7?,11-9+
InChIKeyNPRUKXOOFKEDME-MVOABLDTSA-N
MW152.24 g/mol
LogP1.86
Rot. Bonds

About 1-(2-methyliminocyclohexylidene)ethanamine

1-(2-methyliminocyclohexylidene)ethanamine (PubChem CID 148723804) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2-methyliminocyclohexylidene)ethanamine.

Molecular Properties

Compound Name1-(2-methyliminocyclohexylidene)ethanamine
PubChem CID148723804
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(2-methyliminocyclohexylidene)ethanamine
SMILESC/N=C1\CCCCC1=C(C)N
InChIInChI=1S/C9H16N2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,10H2,1-2H3/b8-7?,11-9+
InChIKeyNPRUKXOOFKEDME-MVOABLDTSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyliminocyclohexylidene)ethanamine?
The IUPAC name of 1-(2-methyliminocyclohexylidene)ethanamine (CID 148723804) is 1-(2-methyliminocyclohexylidene)ethanamine.
What is the SMILES notation for 1-(2-methyliminocyclohexylidene)ethanamine?
The canonical SMILES for 1-(2-methyliminocyclohexylidene)ethanamine is C/N=C1\CCCCC1=C(C)N.
What is the InChIKey of 1-(2-methyliminocyclohexylidene)ethanamine?
The InChIKey is NPRUKXOOFKEDME-MVOABLDTSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,10H2,1-2H3/b8-7?,11-9+.
What are the key properties of 1-(2-methyliminocyclohexylidene)ethanamine?
1-(2-methyliminocyclohexylidene)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyliminocyclohexylidene)ethanamine is sourced from PubChem (CID 148723804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).