N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide

C9H14N2 — CID 122678285

IUPACN'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide
SMILESC#CC(=C/CC)/N=C(/N)CC
InChIInChI=1S/C9H14N2/c1-4-7-8(5-2)11-9(10)6-3/h2,7H,4,6H2,1,3H3,(H2,10,11)/b8-7-
InChIKeyJXLKGIPXIVZTBE-FPLPWBNLSA-N
MW150.22 g/mol
LogP1.68
Rot. Bonds3

About N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide

N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide (PubChem CID 122678285) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide.

Molecular Properties

Compound NameN'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide
PubChem CID122678285
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide
SMILESC#CC(=C/CC)/N=C(/N)CC
InChIInChI=1S/C9H14N2/c1-4-7-8(5-2)11-9(10)6-3/h2,7H,4,6H2,1,3H3,(H2,10,11)/b8-7-
InChIKeyJXLKGIPXIVZTBE-FPLPWBNLSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3H-pyrrol-2-amine
CID 23595915
5-tert-butyl-3H-pyrrol-2-amine
CID 58468594
N'-pent-2-en-2-ylethanimidamide
CID 123240673
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479
N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide
CID 138719539
N'-[(Z)-pent-2-en-2-yl]ethanimidamide
CID 164000424
N'-[(E)-hex-3-en-3-yl]butanimidamide
CID 167106563
N'-[(E)-pent-2-en-3-yl]propanimidamide
CID 167121430
N'-[(Z)-pent-3-en-1-yn-3-yl]ethanimidamide
CID 170069048
5-ethyl-3H-pyrrol-2-amine
CID 60044686

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide?
The IUPAC name of N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide (CID 122678285) is N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide.
What is the SMILES notation for N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide?
The canonical SMILES for N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide is C#CC(=C/CC)/N=C(/N)CC.
What is the InChIKey of N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide?
The InChIKey is JXLKGIPXIVZTBE-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-7-8(5-2)11-9(10)6-3/h2,7H,4,6H2,1,3H3,(H2,10,11)/b8-7-.
What are the key properties of N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide?
N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide is sourced from PubChem (CID 122678285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).