(Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine

C17H29N3 — CID 134474742

IUPAC(Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine
SMILESCN/C=C\N(C)CCc1ccccc1CCCCNC
InChIInChI=1S/C17H29N3/c1-18-12-7-6-10-16-8-4-5-9-17(16)11-14-20(3)15-13-19-2/h4-5,8-9,13,15,18-19H,6-7,10-12,14H2,1-3H3/b15-13-
InChIKeyJQKIRISOFGEVEG-SQFISAMPSA-N
MW275.44 g/mol
LogP2.39
Rot. Bonds10

About (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine

(Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine (PubChem CID 134474742) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine
PubChem CID134474742
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine
SMILESCN/C=C\N(C)CCc1ccccc1CCCCNC
InChIInChI=1S/C17H29N3/c1-18-12-7-6-10-16-8-4-5-9-17(16)11-14-20(3)15-13-19-2/h4-5,8-9,13,15,18-19H,6-7,10-12,14H2,1-3H3/b15-13-
InChIKeyJQKIRISOFGEVEG-SQFISAMPSA-N
XLogP2.39
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-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

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
The IUPAC name of (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine (CID 134474742) is (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine is CN/C=C\N(C)CCc1ccccc1CCCCNC.
What is the InChIKey of (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
The InChIKey is JQKIRISOFGEVEG-SQFISAMPSA-N. The full InChI is InChI=1S/C17H29N3/c1-18-12-7-6-10-16-8-4-5-9-17(16)11-14-20(3)15-13-19-2/h4-5,8-9,13,15,18-19H,6-7,10-12,14H2,1-3H3/b15-13-.
What are the key properties of (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
(Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dimethyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine is sourced from PubChem (CID 134474742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).