(1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine

C11H23N3 — CID 134406447

IUPAC(1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine
SMILESCCN(CCC(C)C)/C(N)=C/C=C\N
InChIInChI=1S/C11H23N3/c1-4-14(9-7-10(2)3)11(13)6-5-8-12/h5-6,8,10H,4,7,9,12-13H2,1-3H3/b8-5-,11-6+
InChIKeyLOKRQVWTNMWAFE-CWQCMXISSA-N
MW197.33 g/mol
LogP1.63
Rot. Bonds6

About (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine (PubChem CID 134406447) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine
PubChem CID134406447
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine
SMILESCCN(CCC(C)C)/C(N)=C/C=C\N
InChIInChI=1S/C11H23N3/c1-4-14(9-7-10(2)3)11(13)6-5-8-12/h5-6,8,10H,4,7,9,12-13H2,1-3H3/b8-5-,11-6+
InChIKeyLOKRQVWTNMWAFE-CWQCMXISSA-N
XLogP1.63
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine (CID 134406447) is (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine is CCN(CCC(C)C)/C(N)=C/C=C\N.
What is the InChIKey of (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine?
The InChIKey is LOKRQVWTNMWAFE-CWQCMXISSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-14(9-7-10(2)3)11(13)6-5-8-12/h5-6,8,10H,4,7,9,12-13H2,1-3H3/b8-5-,11-6+.
What are the key properties of (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine has a molecular weight of 197.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-ethyl-1-N'-(3-methylbutyl)buta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).