N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide

C10H18N4 — CID 174101511

IUPACN'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide
SMILESC=NC=NN(C)N(C)C(=C)/C=C\CC
InChIInChI=1S/C10H18N4/c1-6-7-8-10(2)13(4)14(5)12-9-11-3/h7-9H,2-3,6H2,1,4-5H3/b8-7-,12-9?
InChIKeyWVIUWLPXUVXRER-JEOSXAEBSA-N
MW194.28 g/mol
LogP1.89
Rot. Bonds6

About N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide

N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide (PubChem CID 174101511) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide
PubChem CID174101511
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide
SMILESC=NC=NN(C)N(C)C(=C)/C=C\CC
InChIInChI=1S/C10H18N4/c1-6-7-8-10(2)13(4)14(5)12-9-11-3/h7-9H,2-3,6H2,1,4-5H3/b8-7-,12-9?
InChIKeyWVIUWLPXUVXRER-JEOSXAEBSA-N
XLogP1.89
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide?
The IUPAC name of N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide (CID 174101511) is N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide is C=NC=NN(C)N(C)C(=C)/C=C\CC.
What is the InChIKey of N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide?
The InChIKey is WVIUWLPXUVXRER-JEOSXAEBSA-N. The full InChI is InChI=1S/C10H18N4/c1-6-7-8-10(2)13(4)14(5)12-9-11-3/h7-9H,2-3,6H2,1,4-5H3/b8-7-,12-9?.
What are the key properties of N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide?
N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide is sourced from PubChem (CID 174101511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).