N-propylideneethanimidamide

C5H10N2 — CID 145265956

IUPACN-propylideneethanimidamide
SMILES[H]/N=C(C)/N=C/CC
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h4,6H,3H2,1-2H3/b6-5+,7-4+
InChIKeyJPMQQZZSCUNHMG-HVUXDCMCSA-N
MW98.15 g/mol
LogP1.46
Rot. Bonds1

About N-propylideneethanimidamide

N-propylideneethanimidamide (PubChem CID 145265956) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-propylideneethanimidamide.

Molecular Properties

Compound NameN-propylideneethanimidamide
PubChem CID145265956
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-propylideneethanimidamide
SMILES[H]/N=C(C)/N=C/CC
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h4,6H,3H2,1-2H3/b6-5+,7-4+
InChIKeyJPMQQZZSCUNHMG-HVUXDCMCSA-N
XLogP1.46
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.46
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-propylideneethanimidamide?
The IUPAC name of N-propylideneethanimidamide (CID 145265956) is N-propylideneethanimidamide.
What is the SMILES notation for N-propylideneethanimidamide?
The canonical SMILES for N-propylideneethanimidamide is [H]/N=C(C)/N=C/CC.
What is the InChIKey of N-propylideneethanimidamide?
The InChIKey is JPMQQZZSCUNHMG-HVUXDCMCSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-7-5(2)6/h4,6H,3H2,1-2H3/b6-5+,7-4+.
What are the key properties of N-propylideneethanimidamide?
N-propylideneethanimidamide has a molecular weight of 98.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylideneethanimidamide is sourced from PubChem (CID 145265956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).