4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine

C20H37N3 — CID 155028192

IUPAC4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine
SMILESC=C(C)CCCC(=C)N(CCC)CC(=C)NC(C(=C)N)C(C)C
InChIInChI=1S/C20H37N3/c1-9-13-23(18(7)12-10-11-15(2)3)14-17(6)22-20(16(4)5)19(8)21/h16,20,22H,2,6-14,21H2,1,3-5H3
InChIKeyQEURPWYFGZZLAA-UHFFFAOYSA-N
MW319.54 g/mol
LogP4.56
Rot. Bonds13

About 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine

4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine (PubChem CID 155028192) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine
PubChem CID155028192
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine
SMILESC=C(C)CCCC(=C)N(CCC)CC(=C)NC(C(=C)N)C(C)C
InChIInChI=1S/C20H37N3/c1-9-13-23(18(7)12-10-11-15(2)3)14-17(6)22-20(16(4)5)19(8)21/h16,20,22H,2,6-14,21H2,1,3-5H3
InChIKeyQEURPWYFGZZLAA-UHFFFAOYSA-N
XLogP4.56
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-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 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine?
The IUPAC name of 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine (CID 155028192) is 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine.
What is the SMILES notation for 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine?
The canonical SMILES for 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine is C=C(C)CCCC(=C)N(CCC)CC(=C)NC(C(=C)N)C(C)C.
What is the InChIKey of 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine?
The InChIKey is QEURPWYFGZZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3/c1-9-13-23(18(7)12-10-11-15(2)3)14-17(6)22-20(16(4)5)19(8)21/h16,20,22H,2,6-14,21H2,1,3-5H3.
What are the key properties of 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine?
4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine has a molecular weight of 319.54 g/mol, XLogP of 4.56, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-[3-[6-methylhepta-1,6-dien-2-yl(propyl)amino]prop-1-en-2-yl]pent-1-ene-2,3-diamine is sourced from PubChem (CID 155028192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).