(3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine

C11H18N2 — CID 126627250

IUPAC(3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine
SMILESC=CC(=C)/C=C\C=C(\N)CCNC
InChIInChI=1S/C11H18N2/c1-4-10(2)6-5-7-11(12)8-9-13-3/h4-7,13H,1-2,8-9,12H2,3H3/b6-5-,11-7+
InChIKeyYKYYQAFJBGRODW-GNLLZQBYSA-N
MW178.28 g/mol
LogP1.74
Rot. Bonds6

About (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine

(3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine (PubChem CID 126627250) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine.

Molecular Properties

Compound Name(3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine
PubChem CID126627250
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine
SMILESC=CC(=C)/C=C\C=C(\N)CCNC
InChIInChI=1S/C11H18N2/c1-4-10(2)6-5-7-11(12)8-9-13-3/h4-7,13H,1-2,8-9,12H2,3H3/b6-5-,11-7+
InChIKeyYKYYQAFJBGRODW-GNLLZQBYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.74
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 (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine?
The IUPAC name of (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine (CID 126627250) is (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine.
What is the SMILES notation for (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine?
The canonical SMILES for (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine is C=CC(=C)/C=C\C=C(\N)CCNC.
What is the InChIKey of (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine?
The InChIKey is YKYYQAFJBGRODW-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10(2)6-5-7-11(12)8-9-13-3/h4-7,13H,1-2,8-9,12H2,3H3/b6-5-,11-7+.
What are the key properties of (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine?
(3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine is sourced from PubChem (CID 126627250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).