N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide

C12H24N2 — CID 154986395

IUPACN-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide
SMILES[H]/N=C/N(CCC(C)C)C/C(=C\C)CC
InChIInChI=1S/C12H24N2/c1-5-12(6-2)9-14(10-13)8-7-11(3)4/h5,10-11,13H,6-9H2,1-4H3/b12-5-,13-10+
InChIKeyWZXRPXCZSQVNSG-OHMXIDARSA-N
MW196.34 g/mol
LogP3.30
Rot. Bonds7

About N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide

N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide (PubChem CID 154986395) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide
PubChem CID154986395
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide
SMILES[H]/N=C/N(CCC(C)C)C/C(=C\C)CC
InChIInChI=1S/C12H24N2/c1-5-12(6-2)9-14(10-13)8-7-11(3)4/h5,10-11,13H,6-9H2,1-4H3/b12-5-,13-10+
InChIKeyWZXRPXCZSQVNSG-OHMXIDARSA-N
XLogP3.30
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.30
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide?
The IUPAC name of N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide (CID 154986395) is N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide.
What is the SMILES notation for N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide?
The canonical SMILES for N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide is [H]/N=C/N(CCC(C)C)C/C(=C\C)CC.
What is the InChIKey of N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide?
The InChIKey is WZXRPXCZSQVNSG-OHMXIDARSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(6-2)9-14(10-13)8-7-11(3)4/h5,10-11,13H,6-9H2,1-4H3/b12-5-,13-10+.
What are the key properties of N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide?
N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide is sourced from PubChem (CID 154986395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).