N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine

C11H19N3 — CID 123475839

IUPACN-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine
SMILESC=C/C=C\C(/C=C\C)=NC(CN)NC
InChIInChI=1S/C11H19N3/c1-4-6-8-10(7-5-2)14-11(9-12)13-3/h4-8,11,13H,1,9,12H2,2-3H3/b7-5-,8-6-,14-10?
InChIKeyYAVJGHVNRPFNDL-LXQRQBIFSA-N
MW193.29 g/mol
LogP1.25
Rot. Bonds6

About N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine

N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine (PubChem CID 123475839) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine
PubChem CID123475839
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine
SMILESC=C/C=C\C(/C=C\C)=NC(CN)NC
InChIInChI=1S/C11H19N3/c1-4-6-8-10(7-5-2)14-11(9-12)13-3/h4-8,11,13H,1,9,12H2,2-3H3/b7-5-,8-6-,14-10?
InChIKeyYAVJGHVNRPFNDL-LXQRQBIFSA-N
XLogP1.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine
CID 123512418
N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
CID 123635406
N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 123985656
(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057474
(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057520
(3Z)-2-methyliminohexa-3,5-dien-1-amine;propane
CID 142057531
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
(Z,3Z)-3-(methylaminomethylimino)hex-4-en-1-amine
CID 144190307
N'-ethyl-1-[[(E)-hex-3-en-2-ylidene]amino]methanediamine
CID 173660696

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine?
The IUPAC name of N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine (CID 123475839) is N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine is C=C/C=C\C(/C=C\C)=NC(CN)NC.
What is the InChIKey of N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine?
The InChIKey is YAVJGHVNRPFNDL-LXQRQBIFSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-6-8-10(7-5-2)14-11(9-12)13-3/h4-8,11,13H,1,9,12H2,2-3H3/b7-5-,8-6-,14-10?.
What are the key properties of N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine?
N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine is sourced from PubChem (CID 123475839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).