2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol

C12H24N4O — CID 123389449

IUPAC2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol
SMILESC=CN(N=C)C1(CN)CCC(NCCO)CC1
InChIInChI=1S/C12H24N4O/c1-3-16(14-2)12(10-13)6-4-11(5-7-12)15-8-9-17/h3,11,15,17H,1-2,4-10,13H2
InChIKeyLMKUCEQVJSTMGJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.27
Rot. Bonds7

About 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol

2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol (PubChem CID 123389449) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol
PubChem CID123389449
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol
SMILESC=CN(N=C)C1(CN)CCC(NCCO)CC1
InChIInChI=1S/C12H24N4O/c1-3-16(14-2)12(10-13)6-4-11(5-7-12)15-8-9-17/h3,11,15,17H,1-2,4-10,13H2
InChIKeyLMKUCEQVJSTMGJ-UHFFFAOYSA-N
XLogP0.27
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol (CID 123389449) is 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol is C=CN(N=C)C1(CN)CCC(NCCO)CC1.
What is the InChIKey of 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol?
The InChIKey is LMKUCEQVJSTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-16(14-2)12(10-13)6-4-11(5-7-12)15-8-9-17/h3,11,15,17H,1-2,4-10,13H2.
What are the key properties of 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol?
2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol has a molecular weight of 240.35 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol is sourced from PubChem (CID 123389449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).