N-[(Z)-4-methylpent-2-enylidene]ethanimidamide

C8H14N2 — CID 126635596

IUPACN-[(Z)-4-methylpent-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C=C\C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)5-4-6-10-8(3)9/h4-7,9H,1-3H3/b5-4-,9-8+,10-6+
InChIKeyCSKCEBZCSOGROM-OCWDPKPYSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds2

About N-[(Z)-4-methylpent-2-enylidene]ethanimidamide

N-[(Z)-4-methylpent-2-enylidene]ethanimidamide (PubChem CID 126635596) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-4-methylpent-2-enylidene]ethanimidamide.

Molecular Properties

Compound NameN-[(Z)-4-methylpent-2-enylidene]ethanimidamide
PubChem CID126635596
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-4-methylpent-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C=C\C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)5-4-6-10-8(3)9/h4-7,9H,1-3H3/b5-4-,9-8+,10-6+
InChIKeyCSKCEBZCSOGROM-OCWDPKPYSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methylpent-2-enylidene]ethanimidamide?
The IUPAC name of N-[(Z)-4-methylpent-2-enylidene]ethanimidamide (CID 126635596) is N-[(Z)-4-methylpent-2-enylidene]ethanimidamide.
What is the SMILES notation for N-[(Z)-4-methylpent-2-enylidene]ethanimidamide?
The canonical SMILES for N-[(Z)-4-methylpent-2-enylidene]ethanimidamide is [H]/N=C(C)/N=C/C=C\C(C)C.
What is the InChIKey of N-[(Z)-4-methylpent-2-enylidene]ethanimidamide?
The InChIKey is CSKCEBZCSOGROM-OCWDPKPYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)5-4-6-10-8(3)9/h4-7,9H,1-3H3/b5-4-,9-8+,10-6+.
What are the key properties of N-[(Z)-4-methylpent-2-enylidene]ethanimidamide?
N-[(Z)-4-methylpent-2-enylidene]ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylpent-2-enylidene]ethanimidamide is sourced from PubChem (CID 126635596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).