N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine

C24H33N3 — CID 154963240

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CNCCNC(c1ccccc1)c1cccnc1
InChIInChI=1S/C24H33N3/c1-20(2)9-7-10-21(3)14-16-25-17-18-27-24(22-11-5-4-6-12-22)23-13-8-15-26-19-23/h4-6,8-9,11-15,19,24-25,27H,7,10,16-18H2,1-3H3/b21-14+
InChIKeyINOOJZYRNXNQGX-KGENOOAVSA-N
MW363.55 g/mol
LogP5.04
Rot. Bonds11

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 154963240) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine
PubChem CID154963240
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CNCCNC(c1ccccc1)c1cccnc1
InChIInChI=1S/C24H33N3/c1-20(2)9-7-10-21(3)14-16-25-17-18-27-24(22-11-5-4-6-12-22)23-13-8-15-26-19-23/h4-6,8-9,11-15,19,24-25,27H,7,10,16-18H2,1-3H3/b21-14+
InChIKeyINOOJZYRNXNQGX-KGENOOAVSA-N
XLogP5.04
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

(2E)-3,7-dimethyl-N-(4-phenyl-4-pyridin-3-ylbutyl)octa-2,6-dien-1-amine
CID 164948672
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide
CID 54306137
1-N-(3,7-dimethylocta-2,6-dienyl)-3-phenylpropane-1,2-diamine
CID 175165479
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
2,6-dimethylnona-2,6-diene;pyridine
CID 174610966
1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
CID 22154336
2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834790

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine (CID 154963240) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine is CC(C)=CCC/C(C)=C/CNCCNC(c1ccccc1)c1cccnc1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is INOOJZYRNXNQGX-KGENOOAVSA-N. The full InChI is InChI=1S/C24H33N3/c1-20(2)9-7-10-21(3)14-16-25-17-18-27-24(22-11-5-4-6-12-22)23-13-8-15-26-19-23/h4-6,8-9,11-15,19,24-25,27H,7,10,16-18H2,1-3H3/b21-14+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 363.55 g/mol, XLogP of 5.04, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 154963240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).