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

C8H16N2 — CID 20977276

IUPACN-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCCN1
InChIInChI=1S/C8H16N2/c1-2-5-9-7-8-4-3-6-10-8/h2,8-10H,1,3-7H2
InChIKeyUKNRLDVVRXJSMX-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.51
Rot. Bonds4

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

N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine (PubChem CID 20977276) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
PubChem CID20977276
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCCN1
InChIInChI=1S/C8H16N2/c1-2-5-9-7-8-4-3-6-10-8/h2,8-10H,1,3-7H2
InChIKeyUKNRLDVVRXJSMX-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
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-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine (CID 20977276) is N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine is C=CCNCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is UKNRLDVVRXJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-5-9-7-8-4-3-6-10-8/h2,8-10H,1,3-7H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine?
N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 20977276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).