N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide

C10H19N3 — CID 143653042

IUPACN-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
SMILESC=C(C)N/C=N/CCN1CCCC1
InChIInChI=1S/C10H19N3/c1-10(2)12-9-11-5-8-13-6-3-4-7-13/h9H,1,3-8H2,2H3,(H,11,12)
InChIKeyJIJYOAYQWNIDEE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.23
Rot. Bonds5

About N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide

N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide (PubChem CID 143653042) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide.

Molecular Properties

Compound NameN-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
PubChem CID143653042
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
SMILESC=C(C)N/C=N/CCN1CCCC1
InChIInChI=1S/C10H19N3/c1-10(2)12-9-11-5-8-13-6-3-4-7-13/h9H,1,3-8H2,2H3,(H,11,12)
InChIKeyJIJYOAYQWNIDEE-UHFFFAOYSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
The IUPAC name of N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide (CID 143653042) is N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide.
What is the SMILES notation for N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
The canonical SMILES for N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide is C=C(C)N/C=N/CCN1CCCC1.
What is the InChIKey of N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
The InChIKey is JIJYOAYQWNIDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2)12-9-11-5-8-13-6-3-4-7-13/h9H,1,3-8H2,2H3,(H,11,12).
What are the key properties of N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide is sourced from PubChem (CID 143653042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).