N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide

C12H23N3O — CID 90452731

IUPACN-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide
SMILESC/C=C\C(CC)N/C=N/CC(C)/C(C)=N\O
InChIInChI=1S/C12H23N3O/c1-5-7-12(6-2)14-9-13-8-10(3)11(4)15-16/h5,7,9-10,12,16H,6,8H2,1-4H3,(H,13,14)/b7-5-,15-11-
InChIKeyLWMZSAUKCUNHNB-YZUSSXMKSA-N
MW225.34 g/mol
LogP2.45
Rot. Bonds7

About N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide

N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide (PubChem CID 90452731) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide
PubChem CID90452731
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide
SMILESC/C=C\C(CC)N/C=N/CC(C)/C(C)=N\O
InChIInChI=1S/C12H23N3O/c1-5-7-12(6-2)14-9-13-8-10(3)11(4)15-16/h5,7,9-10,12,16H,6,8H2,1-4H3,(H,13,14)/b7-5-,15-11-
InChIKeyLWMZSAUKCUNHNB-YZUSSXMKSA-N
XLogP2.45
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide?
The IUPAC name of N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide (CID 90452731) is N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide.
What is the SMILES notation for N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide?
The canonical SMILES for N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide is C/C=C\C(CC)N/C=N/CC(C)/C(C)=N\O.
What is the InChIKey of N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide?
The InChIKey is LWMZSAUKCUNHNB-YZUSSXMKSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-7-12(6-2)14-9-13-8-10(3)11(4)15-16/h5,7,9-10,12,16H,6,8H2,1-4H3,(H,13,14)/b7-5-,15-11-.
What are the key properties of N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide?
N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide has a molecular weight of 225.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-4-en-3-yl]-N'-[(3Z)-3-hydroxyimino-2-methylbutyl]methanimidamide is sourced from PubChem (CID 90452731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).