(Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine

C10H18N4 — CID 137430111

IUPAC(Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine
SMILESC=N/C=C(/N)N(C)CNC(=C)/C=C\C
InChIInChI=1S/C10H18N4/c1-5-6-9(2)13-8-14(4)10(11)7-12-3/h5-7,13H,2-3,8,11H2,1,4H3/b6-5-,10-7-
InChIKeyZQHDMVHLUZKGTI-ICZHLNMZSA-N
MW194.28 g/mol
LogP1.01
Rot. Bonds6

About (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine

(Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine (PubChem CID 137430111) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine
PubChem CID137430111
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine
SMILESC=N/C=C(/N)N(C)CNC(=C)/C=C\C
InChIInChI=1S/C10H18N4/c1-5-6-9(2)13-8-14(4)10(11)7-12-3/h5-7,13H,2-3,8,11H2,1,4H3/b6-5-,10-7-
InChIKeyZQHDMVHLUZKGTI-ICZHLNMZSA-N
XLogP1.01
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine?
The IUPAC name of (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine (CID 137430111) is (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine.
What is the SMILES notation for (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine?
The canonical SMILES for (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine is C=N/C=C(/N)N(C)CNC(=C)/C=C\C.
What is the InChIKey of (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine?
The InChIKey is ZQHDMVHLUZKGTI-ICZHLNMZSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-6-9(2)13-8-14(4)10(11)7-12-3/h5-7,13H,2-3,8,11H2,1,4H3/b6-5-,10-7-.
What are the key properties of (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine?
(Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine is sourced from PubChem (CID 137430111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).