N,N-dipropylethanimidamide

C8H18N2 — CID 62047941

IUPACN,N-dipropylethanimidamide
SMILES[H]/N=C(\C)N(CCC)CCC
InChIInChI=1S/C8H18N2/c1-4-6-10(7-5-2)8(3)9/h9H,4-7H2,1-3H3/b9-8+
InChIKeyNCEHBEWJERYLDC-CMDGGOBGSA-N
MW142.25 g/mol
LogP2.11
Rot. Bonds4

About N,N-dipropylethanimidamide

N,N-dipropylethanimidamide (PubChem CID 62047941) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-dipropylethanimidamide.

Molecular Properties

Compound NameN,N-dipropylethanimidamide
PubChem CID62047941
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-dipropylethanimidamide
SMILES[H]/N=C(\C)N(CCC)CCC
InChIInChI=1S/C8H18N2/c1-4-6-10(7-5-2)8(3)9/h9H,4-7H2,1-3H3/b9-8+
InChIKeyNCEHBEWJERYLDC-CMDGGOBGSA-N
XLogP2.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.11
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'}

Analyze N,N-dipropylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylethanimidamide?
The IUPAC name of N,N-dipropylethanimidamide (CID 62047941) is N,N-dipropylethanimidamide.
What is the SMILES notation for N,N-dipropylethanimidamide?
The canonical SMILES for N,N-dipropylethanimidamide is [H]/N=C(\C)N(CCC)CCC.
What is the InChIKey of N,N-dipropylethanimidamide?
The InChIKey is NCEHBEWJERYLDC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-10(7-5-2)8(3)9/h9H,4-7H2,1-3H3/b9-8+.
What are the key properties of N,N-dipropylethanimidamide?
N,N-dipropylethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylethanimidamide is sourced from PubChem (CID 62047941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).