(Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine

C9H19N3 — CID 166816484

IUPAC(Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine
SMILESCN(N)/C=C(\N)C1CCCCC1
InChIInChI=1S/C9H19N3/c1-12(11)7-9(10)8-5-3-2-4-6-8/h7-8H,2-6,10-11H2,1H3/b9-7-
InChIKeyYLPFUHRYJZKLBZ-CLFYSBASSA-N
MW169.27 g/mol
LogP1.17
Rot. Bonds2

About (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine

(Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine (PubChem CID 166816484) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine
PubChem CID166816484
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine
SMILESCN(N)/C=C(\N)C1CCCCC1
InChIInChI=1S/C9H19N3/c1-12(11)7-9(10)8-5-3-2-4-6-8/h7-8H,2-6,10-11H2,1H3/b9-7-
InChIKeyYLPFUHRYJZKLBZ-CLFYSBASSA-N
XLogP1.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine (CID 166816484) is (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine is CN(N)/C=C(\N)C1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine?
The InChIKey is YLPFUHRYJZKLBZ-CLFYSBASSA-N. The full InChI is InChI=1S/C9H19N3/c1-12(11)7-9(10)8-5-3-2-4-6-8/h7-8H,2-6,10-11H2,1H3/b9-7-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine?
(Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine has a molecular weight of 169.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine is sourced from PubChem (CID 166816484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).