N-[(Z)-hept-2-en-4-ylidene]methanimidamide

C8H14N2 — CID 118327143

IUPACN-[(Z)-hept-2-en-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C(/C=C\C)CCC
InChIInChI=1S/C8H14N2/c1-3-5-8(6-4-2)10-7-9/h3,5,7,9H,4,6H2,1-2H3/b5-3-,9-7+,10-8-
InChIKeyDLAAMMUETNLNMW-CQXZJNCLSA-N
MW138.21 g/mol
LogP2.41
Rot. Bonds4

About N-[(Z)-hept-2-en-4-ylidene]methanimidamide

N-[(Z)-hept-2-en-4-ylidene]methanimidamide (PubChem CID 118327143) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-hept-2-en-4-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-hept-2-en-4-ylidene]methanimidamide
PubChem CID118327143
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-hept-2-en-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C(/C=C\C)CCC
InChIInChI=1S/C8H14N2/c1-3-5-8(6-4-2)10-7-9/h3,5,7,9H,4,6H2,1-2H3/b5-3-,9-7+,10-8-
InChIKeyDLAAMMUETNLNMW-CQXZJNCLSA-N
XLogP2.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.41
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)-hept-2-en-4-ylidene]methanimidamide?
The IUPAC name of N-[(Z)-hept-2-en-4-ylidene]methanimidamide (CID 118327143) is N-[(Z)-hept-2-en-4-ylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-hept-2-en-4-ylidene]methanimidamide?
The canonical SMILES for N-[(Z)-hept-2-en-4-ylidene]methanimidamide is [H]/N=C/N=C(/C=C\C)CCC.
What is the InChIKey of N-[(Z)-hept-2-en-4-ylidene]methanimidamide?
The InChIKey is DLAAMMUETNLNMW-CQXZJNCLSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-8(6-4-2)10-7-9/h3,5,7,9H,4,6H2,1-2H3/b5-3-,9-7+,10-8-.
What are the key properties of N-[(Z)-hept-2-en-4-ylidene]methanimidamide?
N-[(Z)-hept-2-en-4-ylidene]methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hept-2-en-4-ylidene]methanimidamide is sourced from PubChem (CID 118327143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).