(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine

C14H22N2 — CID 88905965

IUPAC(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine
SMILESC=CNC(=C\N)/C(=C/C=C(/C)C=C)C(C)C
InChIInChI=1S/C14H22N2/c1-6-12(5)8-9-13(11(3)4)14(10-15)16-7-2/h6-11,16H,1-2,15H2,3-5H3/b12-8-,13-9+,14-10-
InChIKeyKUGKIPHHPFZCOQ-GXSCZCTFSA-N
MW218.34 g/mol
LogP3.23
Rot. Bonds6

About (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine

(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine (PubChem CID 88905965) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine
PubChem CID88905965
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine
SMILESC=CNC(=C\N)/C(=C/C=C(/C)C=C)C(C)C
InChIInChI=1S/C14H22N2/c1-6-12(5)8-9-13(11(3)4)14(10-15)16-7-2/h6-11,16H,1-2,15H2,3-5H3/b12-8-,13-9+,14-10-
InChIKeyKUGKIPHHPFZCOQ-GXSCZCTFSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine?
The IUPAC name of (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine (CID 88905965) is (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine.
What is the SMILES notation for (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine?
The canonical SMILES for (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine is C=CNC(=C\N)/C(=C/C=C(/C)C=C)C(C)C.
What is the InChIKey of (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine?
The InChIKey is KUGKIPHHPFZCOQ-GXSCZCTFSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-12(5)8-9-13(11(3)4)14(10-15)16-7-2/h6-11,16H,1-2,15H2,3-5H3/b12-8-,13-9+,14-10-.
What are the key properties of (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine?
(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine is sourced from PubChem (CID 88905965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).