(Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine

C19H37N3 — CID 174344628

IUPAC(Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine
SMILESC=C(CC)NC(C)/C(=C/C(C)C)NN1CC(C)CC1CCC
InChIInChI=1S/C19H37N3/c1-8-10-18-12-15(5)13-22(18)21-19(11-14(3)4)17(7)20-16(6)9-2/h11,14-15,17-18,20-21H,6,8-10,12-13H2,1-5,7H3/b19-11-
InChIKeyYDXLJAGOSUALPW-ODLFYWEKSA-N
MW307.53 g/mol
LogP4.44
Rot. Bonds9

About (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine

(Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine (PubChem CID 174344628) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine.

Molecular Properties

Compound Name(Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine
PubChem CID174344628
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name(Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine
SMILESC=C(CC)NC(C)/C(=C/C(C)C)NN1CC(C)CC1CCC
InChIInChI=1S/C19H37N3/c1-8-10-18-12-15(5)13-22(18)21-19(11-14(3)4)17(7)20-16(6)9-2/h11,14-15,17-18,20-21H,6,8-10,12-13H2,1-5,7H3/b19-11-
InChIKeyYDXLJAGOSUALPW-ODLFYWEKSA-N
XLogP4.44
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-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 (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine?
The IUPAC name of (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine (CID 174344628) is (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine.
What is the SMILES notation for (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine?
The canonical SMILES for (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine is C=C(CC)NC(C)/C(=C/C(C)C)NN1CC(C)CC1CCC.
What is the InChIKey of (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine?
The InChIKey is YDXLJAGOSUALPW-ODLFYWEKSA-N. The full InChI is InChI=1S/C19H37N3/c1-8-10-18-12-15(5)13-22(18)21-19(11-14(3)4)17(7)20-16(6)9-2/h11,14-15,17-18,20-21H,6,8-10,12-13H2,1-5,7H3/b19-11-.
What are the key properties of (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine?
(Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine has a molecular weight of 307.53 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine is sourced from PubChem (CID 174344628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).