2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine

C23H37N5 — CID 130390315

IUPAC2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine
SMILESC=CC(=C)CN(C(C)N(C)C(C)C1=CC=C(C=C)NC1)C1(C)NC1N/C=C\C
InChIInChI=1S/C23H37N5/c1-9-14-24-22-23(7,26-22)28(16-17(4)10-2)19(6)27(8)18(5)20-12-13-21(11-3)25-15-20/h9-14,18-19,22,24-26H,2-4,15-16H2,1,5-8H3/b14-9-
InChIKeyWJMZVMQVNXHCAP-ZROIWOOFSA-N
MW383.58 g/mol
LogP3.07
Rot. Bonds11

About 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine

2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine (PubChem CID 130390315) has the molecular formula C23H37N5 and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine
PubChem CID130390315
Molecular FormulaC23H37N5
Molecular Weight383.58 g/mol
Exact Mass383.30
IUPAC Name2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine
SMILESC=CC(=C)CN(C(C)N(C)C(C)C1=CC=C(C=C)NC1)C1(C)NC1N/C=C\C
InChIInChI=1S/C23H37N5/c1-9-14-24-22-23(7,26-22)28(16-17(4)10-2)19(6)27(8)18(5)20-12-13-21(11-3)25-15-20/h9-14,18-19,22,24-26H,2-4,15-16H2,1,5-8H3/b14-9-
InChIKeyWJMZVMQVNXHCAP-ZROIWOOFSA-N
XLogP3.07
TPSA52.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-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 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine?
The IUPAC name of 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine (CID 130390315) is 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine.
What is the SMILES notation for 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine?
The canonical SMILES for 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine is C=CC(=C)CN(C(C)N(C)C(C)C1=CC=C(C=C)NC1)C1(C)NC1N/C=C\C.
What is the InChIKey of 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine?
The InChIKey is WJMZVMQVNXHCAP-ZROIWOOFSA-N. The full InChI is InChI=1S/C23H37N5/c1-9-14-24-22-23(7,26-22)28(16-17(4)10-2)19(6)27(8)18(5)20-12-13-21(11-3)25-15-20/h9-14,18-19,22,24-26H,2-4,15-16H2,1,5-8H3/b14-9-.
What are the key properties of 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine?
2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine has a molecular weight of 383.58 g/mol, XLogP of 3.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine is sourced from PubChem (CID 130390315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).