(Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide

C10H17N3 — CID 170127123

IUPAC(Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide
SMILESC=C/C=C(CC)/N=C(N)/C=C\NC
InChIInChI=1S/C10H17N3/c1-4-6-9(5-2)13-10(11)7-8-12-3/h4,6-8,12H,1,5H2,2-3H3,(H2,11,13)/b8-7-,9-6+
InChIKeyGWWBPXXCCSDUOB-SOKJVCRVSA-N
MW179.27 g/mol
LogP1.56
Rot. Bonds5

About (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide

(Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide (PubChem CID 170127123) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide
PubChem CID170127123
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide
SMILESC=C/C=C(CC)/N=C(N)/C=C\NC
InChIInChI=1S/C10H17N3/c1-4-6-9(5-2)13-10(11)7-8-12-3/h4,6-8,12H,1,5H2,2-3H3,(H2,11,13)/b8-7-,9-6+
InChIKeyGWWBPXXCCSDUOB-SOKJVCRVSA-N
XLogP1.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide?
The IUPAC name of (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide (CID 170127123) is (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide?
The canonical SMILES for (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide is C=C/C=C(CC)/N=C(N)/C=C\NC.
What is the InChIKey of (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide?
The InChIKey is GWWBPXXCCSDUOB-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-6-9(5-2)13-10(11)7-8-12-3/h4,6-8,12H,1,5H2,2-3H3,(H2,11,13)/b8-7-,9-6+.
What are the key properties of (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide?
(Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 170127123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).