N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine

C8H16N2 — CID 54502985

IUPACN-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCN1CCCC1
InChIInChI=1S/C8H16N2/c1-2-5-9-8-10-6-3-4-7-10/h2,9H,1,3-8H2
InChIKeyYDSYYMZGHJEEIZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.82
Rot. Bonds4

About N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine

N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine (PubChem CID 54502985) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
PubChem CID54502985
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCN1CCCC1
InChIInChI=1S/C8H16N2/c1-2-5-9-8-10-6-3-4-7-10/h2,9H,1,3-8H2
InChIKeyYDSYYMZGHJEEIZ-UHFFFAOYSA-N
XLogP0.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine (CID 54502985) is N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine is C=CCNCN1CCCC1.
What is the InChIKey of N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is YDSYYMZGHJEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-5-9-8-10-6-3-4-7-10/h2,9H,1,3-8H2.
What are the key properties of N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 54502985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).