N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide

C10H17N3 — CID 123298095

IUPACN'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
SMILESC=C(/C=C\C)NC=NC(N)C(=C)C
InChIInChI=1S/C10H17N3/c1-5-6-9(4)12-7-13-10(11)8(2)3/h5-7,10H,2,4,11H2,1,3H3,(H,12,13)/b6-5-
InChIKeyNMUHLEPARSDFRP-WAYWQWQTSA-N
MW179.27 g/mol
LogP1.55
Rot. Bonds5

About N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide

N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide (PubChem CID 123298095) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
PubChem CID123298095
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
SMILESC=C(/C=C\C)NC=NC(N)C(=C)C
InChIInChI=1S/C10H17N3/c1-5-6-9(4)12-7-13-10(11)8(2)3/h5-7,10H,2,4,11H2,1,3H3,(H,12,13)/b6-5-
InChIKeyNMUHLEPARSDFRP-WAYWQWQTSA-N
XLogP1.55
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 ≤ 51.55
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 130240102
7-Methylidene-1,4-dihydro-1,3-diazepine
CID 59437890
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
7-methyl-1H-1,3-diazepine
CID 91313357
6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 117633539
(5Z,7Z)-9-methylidene-1,4-dihydro-1,3-diazonine
CID 117691925
N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
CID 123195959
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176
N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 123530565

Frequently Asked Questions

What is the IUPAC name of N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide?
The IUPAC name of N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide (CID 123298095) is N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide?
The canonical SMILES for N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide is C=C(/C=C\C)NC=NC(N)C(=C)C.
What is the InChIKey of N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide?
The InChIKey is NMUHLEPARSDFRP-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-6-9(4)12-7-13-10(11)8(2)3/h5-7,10H,2,4,11H2,1,3H3,(H,12,13)/b6-5-.
What are the key properties of N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide?
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide is sourced from PubChem (CID 123298095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).