N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine

C23H45N3O — CID 139502018

IUPACN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine
SMILESC=CC(=C)CC/C=C(\C)COC(C)CN(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C23H45N3O/c1-9-21(2)13-10-14-22(3)20-27-23(4)19-26(17-11-15-24(5)6)18-12-16-25(7)8/h9,14,23H,1-2,10-13,15-20H2,3-8H3/b22-14+
InChIKeyZIGBGRLTXYGETE-HYARGMPZSA-N
MW379.63 g/mol
LogP4.07
Rot. Bonds17

About N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine (PubChem CID 139502018) has the molecular formula C23H45N3O and a molecular weight of 379.63 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine
PubChem CID139502018
Molecular FormulaC23H45N3O
Molecular Weight379.63 g/mol
Exact Mass379.36
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine
SMILESC=CC(=C)CC/C=C(\C)COC(C)CN(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C23H45N3O/c1-9-21(2)13-10-14-22(3)20-27-23(4)19-26(17-11-15-24(5)6)18-12-16-25(7)8/h9,14,23H,1-2,10-13,15-20H2,3-8H3/b22-14+
InChIKeyZIGBGRLTXYGETE-HYARGMPZSA-N
XLogP4.07
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-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 N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine (CID 139502018) is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine is C=CC(=C)CC/C=C(\C)COC(C)CN(CCCN(C)C)CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine?
The InChIKey is ZIGBGRLTXYGETE-HYARGMPZSA-N. The full InChI is InChI=1S/C23H45N3O/c1-9-21(2)13-10-14-22(3)20-27-23(4)19-26(17-11-15-24(5)6)18-12-16-25(7)8/h9,14,23H,1-2,10-13,15-20H2,3-8H3/b22-14+.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine?
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine has a molecular weight of 379.63 g/mol, XLogP of 4.07, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine is sourced from PubChem (CID 139502018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).