(E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine

C19H39N3 — CID 89050567

IUPAC(E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine
SMILES[H]/N=C/C(CC(C)(C)N)C(C)CC(C)(C)C/C=C/CC(C)CN
InChIInChI=1S/C19H39N3/c1-15(13-20)9-7-8-10-18(3,4)11-16(2)17(14-21)12-19(5,6)22/h7-8,14-17,21H,9-13,20,22H2,1-6H3/b8-7+,21-14+
InChIKeyJKGGOQGAPLIOTJ-DBVLCOFHSA-N
MW309.54 g/mol
LogP4.36
Rot. Bonds11

About (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine

(E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine (PubChem CID 89050567) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine.

Molecular Properties

Compound Name(E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine
PubChem CID89050567
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name(E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine
SMILES[H]/N=C/C(CC(C)(C)N)C(C)CC(C)(C)C/C=C/CC(C)CN
InChIInChI=1S/C19H39N3/c1-15(13-20)9-7-8-10-18(3,4)11-16(2)17(14-21)12-19(5,6)22/h7-8,14-17,21H,9-13,20,22H2,1-6H3/b8-7+,21-14+
InChIKeyJKGGOQGAPLIOTJ-DBVLCOFHSA-N
XLogP4.36
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine?
The IUPAC name of (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine (CID 89050567) is (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine.
What is the SMILES notation for (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine?
The canonical SMILES for (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine is [H]/N=C/C(CC(C)(C)N)C(C)CC(C)(C)C/C=C/CC(C)CN.
What is the InChIKey of (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine?
The InChIKey is JKGGOQGAPLIOTJ-DBVLCOFHSA-N. The full InChI is InChI=1S/C19H39N3/c1-15(13-20)9-7-8-10-18(3,4)11-16(2)17(14-21)12-19(5,6)22/h7-8,14-17,21H,9-13,20,22H2,1-6H3/b8-7+,21-14+.
What are the key properties of (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine?
(E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine has a molecular weight of 309.54 g/mol, XLogP of 4.36, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine is sourced from PubChem (CID 89050567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).