N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine

C8H16N2 — CID 67758241

IUPACN-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine
SMILESCC=C(NC)C1CCCN1
InChIInChI=1S/C8H16N2/c1-3-7(9-2)8-5-4-6-10-8/h3,8-10H,4-6H2,1-2H3
InChIKeyPDJIVLJWJLXNFI-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.86
Rot. Bonds2

About N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine

N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine (PubChem CID 67758241) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine
PubChem CID67758241
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine
SMILESCC=C(NC)C1CCCN1
InChIInChI=1S/C8H16N2/c1-3-7(9-2)8-5-4-6-10-8/h3,8-10H,4-6H2,1-2H3
InChIKeyPDJIVLJWJLXNFI-UHFFFAOYSA-N
XLogP0.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine?
The IUPAC name of N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine (CID 67758241) is N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine.
What is the SMILES notation for N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine?
The canonical SMILES for N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine is CC=C(NC)C1CCCN1.
What is the InChIKey of N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine?
The InChIKey is PDJIVLJWJLXNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7(9-2)8-5-4-6-10-8/h3,8-10H,4-6H2,1-2H3.
What are the key properties of N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine?
N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine is sourced from PubChem (CID 67758241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).