(E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine

C14H30N2 — CID 19837438

IUPAC(E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine
SMILESCCCCCCCCCN(C)/C=C/N(C)C
InChIInChI=1S/C14H30N2/c1-5-6-7-8-9-10-11-12-16(4)14-13-15(2)3/h13-14H,5-12H2,1-4H3/b14-13+
InChIKeyHPSHSHIUZZHRQA-BUHFOSPRSA-N
MW226.41 g/mol
LogP3.70
Rot. Bonds10

About (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine

(E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine (PubChem CID 19837438) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine
PubChem CID19837438
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name(E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine
SMILESCCCCCCCCCN(C)/C=C/N(C)C
InChIInChI=1S/C14H30N2/c1-5-6-7-8-9-10-11-12-16(4)14-13-15(2)3/h13-14H,5-12H2,1-4H3/b14-13+
InChIKeyHPSHSHIUZZHRQA-BUHFOSPRSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine?
The IUPAC name of (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine (CID 19837438) is (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine.
What is the SMILES notation for (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine?
The canonical SMILES for (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine is CCCCCCCCCN(C)/C=C/N(C)C.
What is the InChIKey of (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine?
The InChIKey is HPSHSHIUZZHRQA-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-8-9-10-11-12-16(4)14-13-15(2)3/h13-14H,5-12H2,1-4H3/b14-13+.
What are the key properties of (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine?
(E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine is sourced from PubChem (CID 19837438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).