(E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine

C18H26N2 — CID 167384299

IUPAC(E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine
SMILESC=C/C=C(\C=C)NC/C=C/N/C(C=C)=C/C=C/C(C)C
InChIInChI=1S/C18H26N2/c1-6-11-17(7-2)19-14-10-15-20-18(8-3)13-9-12-16(4)5/h6-13,15-16,19-20H,1-3,14H2,4-5H3/b12-9+,15-10+,17-11+,18-13+
InChIKeyMVWRWYMTYRRLJM-TWLPZXLQSA-N
MW270.42 g/mol
LogP4.22
Rot. Bonds10

About (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine

(E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine (PubChem CID 167384299) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine
PubChem CID167384299
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine
SMILESC=C/C=C(\C=C)NC/C=C/N/C(C=C)=C/C=C/C(C)C
InChIInChI=1S/C18H26N2/c1-6-11-17(7-2)19-14-10-15-20-18(8-3)13-9-12-16(4)5/h6-13,15-16,19-20H,1-3,14H2,4-5H3/b12-9+,15-10+,17-11+,18-13+
InChIKeyMVWRWYMTYRRLJM-TWLPZXLQSA-N
XLogP4.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine with MolForge

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Related Compounds

ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpentan-1-amine
CID 170600051
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(2E,4Z)-1-N-[(1E)-3,4-ditert-butylhexa-1,5-dienyl]-3-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]hexa-2,4-diene-1,3-diamine
CID 167384468
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]acetic acid
CID 144971158
N-[(1E)-buta-1,3-dienyl]-5-methylhepta-1,3,6-trien-3-amine;ethane
CID 142049812
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225
(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine
CID 146535612
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
(3E,7E)-9-methyldeca-1,3,7-triene
CID 101414428
(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine
CID 142114381

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine?
The IUPAC name of (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine (CID 167384299) is (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine is C=C/C=C(\C=C)NC/C=C/N/C(C=C)=C/C=C/C(C)C.
What is the InChIKey of (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine?
The InChIKey is MVWRWYMTYRRLJM-TWLPZXLQSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-11-17(7-2)19-14-10-15-20-18(8-3)13-9-12-16(4)5/h6-13,15-16,19-20H,1-3,14H2,4-5H3/b12-9+,15-10+,17-11+,18-13+.
What are the key properties of (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine?
(E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine has a molecular weight of 270.42 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(3E,5E)-7-methylocta-1,3,5-trien-3-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 167384299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).