(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine

C9H17N3 — CID 170009667

IUPAC(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine
SMILESC=C/C(C)=N\N(C)/C=C\N(C)C
InChIInChI=1S/C9H17N3/c1-6-9(2)10-12(5)8-7-11(3)4/h6-8H,1H2,2-5H3/b8-7-,10-9-
InChIKeyFVNXJVYJGNBBKB-QRLRYFCNSA-N
MW167.26 g/mol
LogP1.51
Rot. Bonds4

About (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine

(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine (PubChem CID 170009667) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine
PubChem CID170009667
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine
SMILESC=C/C(C)=N\N(C)/C=C\N(C)C
InChIInChI=1S/C9H17N3/c1-6-9(2)10-12(5)8-7-11(3)4/h6-8H,1H2,2-5H3/b8-7-,10-9-
InChIKeyFVNXJVYJGNBBKB-QRLRYFCNSA-N
XLogP1.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.51
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 (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine?
The IUPAC name of (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine (CID 170009667) is (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine?
The canonical SMILES for (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine is C=C/C(C)=N\N(C)/C=C\N(C)C.
What is the InChIKey of (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine?
The InChIKey is FVNXJVYJGNBBKB-QRLRYFCNSA-N. The full InChI is InChI=1S/C9H17N3/c1-6-9(2)10-12(5)8-7-11(3)4/h6-8H,1H2,2-5H3/b8-7-,10-9-.
What are the key properties of (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine?
(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine is sourced from PubChem (CID 170009667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).