1-(4-methylcyclohexyl)-2-methyliminoethanamine

C10H20N2 — CID 138510385

IUPAC1-(4-methylcyclohexyl)-2-methyliminoethanamine
SMILESC/N=C/C(N)C1CCC(C)CC1
InChIInChI=1S/C10H20N2/c1-8-3-5-9(6-4-8)10(11)7-12-2/h7-10H,3-6,11H2,1-2H3/b12-7+
InChIKeyXISKRIZFVKNVSP-KPKJPENVSA-N
MW168.28 g/mol
LogP1.84
Rot. Bonds2

About 1-(4-methylcyclohexyl)-2-methyliminoethanamine

1-(4-methylcyclohexyl)-2-methyliminoethanamine (PubChem CID 138510385) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-methyliminoethanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-methyliminoethanamine
PubChem CID138510385
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(4-methylcyclohexyl)-2-methyliminoethanamine
SMILESC/N=C/C(N)C1CCC(C)CC1
InChIInChI=1S/C10H20N2/c1-8-3-5-9(6-4-8)10(11)7-12-2/h7-10H,3-6,11H2,1-2H3/b12-7+
InChIKeyXISKRIZFVKNVSP-KPKJPENVSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.84
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-(4-methylcyclohexyl)-2-methyliminoethanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-2-methyliminoethanamine (CID 138510385) is 1-(4-methylcyclohexyl)-2-methyliminoethanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-methyliminoethanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-methyliminoethanamine is C/N=C/C(N)C1CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-methyliminoethanamine?
The InChIKey is XISKRIZFVKNVSP-KPKJPENVSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-3-5-9(6-4-8)10(11)7-12-2/h7-10H,3-6,11H2,1-2H3/b12-7+.
What are the key properties of 1-(4-methylcyclohexyl)-2-methyliminoethanamine?
1-(4-methylcyclohexyl)-2-methyliminoethanamine has a molecular weight of 168.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-methyliminoethanamine is sourced from PubChem (CID 138510385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).