(2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine

C17H24N2 — CID 138615063

IUPAC(2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine
SMILES[H]/N=C/[C@H](C)C/C=C\C=C/C(=C)/C(C)=C\C(C=C)=N\C
InChIInChI=1S/C17H24N2/c1-6-17(19-5)12-16(4)15(3)11-9-7-8-10-14(2)13-18/h6-9,11-14,18H,1,3,10H2,2,4-5H3/b8-7-,11-9-,16-12+,18-13+,19-17+/t14-/m1/s1
InChIKeyBXDFIQYHNSUQKE-YWPZRNGWSA-N
MW256.39 g/mol
LogP4.53
Rot. Bonds8

About (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine

(2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine (PubChem CID 138615063) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine.

Molecular Properties

Compound Name(2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine
PubChem CID138615063
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine
SMILES[H]/N=C/[C@H](C)C/C=C\C=C/C(=C)/C(C)=C\C(C=C)=N\C
InChIInChI=1S/C17H24N2/c1-6-17(19-5)12-16(4)15(3)11-9-7-8-10-14(2)13-18/h6-9,11-14,18H,1,3,10H2,2,4-5H3/b8-7-,11-9-,16-12+,18-13+,19-17+/t14-/m1/s1
InChIKeyBXDFIQYHNSUQKE-YWPZRNGWSA-N
XLogP4.53
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine?
The IUPAC name of (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine (CID 138615063) is (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine.
What is the SMILES notation for (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine?
The canonical SMILES for (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine is [H]/N=C/[C@H](C)C/C=C\C=C/C(=C)/C(C)=C\C(C=C)=N\C.
What is the InChIKey of (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine?
The InChIKey is BXDFIQYHNSUQKE-YWPZRNGWSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-17(19-5)12-16(4)15(3)11-9-7-8-10-14(2)13-18/h6-9,11-14,18H,1,3,10H2,2,4-5H3/b8-7-,11-9-,16-12+,18-13+,19-17+/t14-/m1/s1.
What are the key properties of (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine?
(2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine has a molecular weight of 256.39 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z,6Z,9E)-11-N,2,9-trimethyl-8-methylidenetrideca-4,6,9,12-tetraene-1,11-diimine is sourced from PubChem (CID 138615063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).