(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine

C14H27N3 — CID 174024920

IUPAC(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine
SMILESCC/C=C/C(/C=N/C)=C(NC)C(C)C(C)NC
InChIInChI=1S/C14H27N3/c1-7-8-9-13(10-15-4)14(17-6)11(2)12(3)16-5/h8-12,16-17H,7H2,1-6H3/b9-8+,14-13?,15-10+
InChIKeyZUMCGPDORDUUOH-JCBVDXGXSA-N
MW237.39 g/mol
LogP2.37
Rot. Bonds7

About (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine

(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine (PubChem CID 174024920) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine.

Molecular Properties

Compound Name(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine
PubChem CID174024920
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine
SMILESCC/C=C/C(/C=N/C)=C(NC)C(C)C(C)NC
InChIInChI=1S/C14H27N3/c1-7-8-9-13(10-15-4)14(17-6)11(2)12(3)16-5/h8-12,16-17H,7H2,1-6H3/b9-8+,14-13?,15-10+
InChIKeyZUMCGPDORDUUOH-JCBVDXGXSA-N
XLogP2.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine?
The IUPAC name of (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine (CID 174024920) is (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine.
What is the SMILES notation for (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine?
The canonical SMILES for (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine is CC/C=C/C(/C=N/C)=C(NC)C(C)C(C)NC.
What is the InChIKey of (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine?
The InChIKey is ZUMCGPDORDUUOH-JCBVDXGXSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-8-9-13(10-15-4)14(17-6)11(2)12(3)16-5/h8-12,16-17H,7H2,1-6H3/b9-8+,14-13?,15-10+.
What are the key properties of (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine?
(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine is sourced from PubChem (CID 174024920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).