(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine

C11H23N3 — CID 134567684

IUPAC(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine
SMILESC/N=C(CCN(C)C)/C(C)=C(\C)NC
InChIInChI=1S/C11H23N3/c1-9(10(2)12-3)11(13-4)7-8-14(5)6/h12H,7-8H2,1-6H3/b10-9+,13-11+
InChIKeyMHGYJTZDGXAFCD-SNMPHBPQSA-N
MW197.33 g/mol
LogP1.52
Rot. Bonds5

About (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine

(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine (PubChem CID 134567684) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine
PubChem CID134567684
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine
SMILESC/N=C(CCN(C)C)/C(C)=C(\C)NC
InChIInChI=1S/C11H23N3/c1-9(10(2)12-3)11(13-4)7-8-14(5)6/h12H,7-8H2,1-6H3/b10-9+,13-11+
InChIKeyMHGYJTZDGXAFCD-SNMPHBPQSA-N
XLogP1.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine?
The IUPAC name of (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine (CID 134567684) is (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine.
What is the SMILES notation for (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine?
The canonical SMILES for (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine is C/N=C(CCN(C)C)/C(C)=C(\C)NC.
What is the InChIKey of (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine?
The InChIKey is MHGYJTZDGXAFCD-SNMPHBPQSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(10(2)12-3)11(13-4)7-8-14(5)6/h12H,7-8H2,1-6H3/b10-9+,13-11+.
What are the key properties of (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine?
(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine is sourced from PubChem (CID 134567684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).