(E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine

C11H19N3 — CID 172607148

IUPAC(E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
SMILESC=C/C=N\C(=C(\C)C(C)C)N(C)N=C
InChIInChI=1S/C11H19N3/c1-7-8-13-11(14(6)12-5)10(4)9(2)3/h7-9H,1,5H2,2-4,6H3/b11-10+,13-8-
InChIKeyMKMPWYKUVPKVOD-QRRHERDPSA-N
MW193.29 g/mol
LogP2.68
Rot. Bonds5

About (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine

(E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine (PubChem CID 172607148) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
PubChem CID172607148
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
SMILESC=C/C=N\C(=C(\C)C(C)C)N(C)N=C
InChIInChI=1S/C11H19N3/c1-7-8-13-11(14(6)12-5)10(4)9(2)3/h7-9H,1,5H2,2-4,6H3/b11-10+,13-8-
InChIKeyMKMPWYKUVPKVOD-QRRHERDPSA-N
XLogP2.68
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
The IUPAC name of (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine (CID 172607148) is (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine.
What is the SMILES notation for (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
The canonical SMILES for (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine is C=C/C=N\C(=C(\C)C(C)C)N(C)N=C.
What is the InChIKey of (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
The InChIKey is MKMPWYKUVPKVOD-QRRHERDPSA-N. The full InChI is InChI=1S/C11H19N3/c1-7-8-13-11(14(6)12-5)10(4)9(2)3/h7-9H,1,5H2,2-4,6H3/b11-10+,13-8-.
What are the key properties of (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
(E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine is sourced from PubChem (CID 172607148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).