3-(cyclopropylmethyl)pyrrolidin-1-amine

C8H16N2 — CID 118556070

IUPAC3-(cyclopropylmethyl)pyrrolidin-1-amine
SMILESNN1CCC(CC2CC2)C1
InChIInChI=1S/C8H16N2/c9-10-4-3-8(6-10)5-7-1-2-7/h7-8H,1-6,9H2
InChIKeyBARAWICQMAZHAH-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.98
Rot. Bonds2

About 3-(cyclopropylmethyl)pyrrolidin-1-amine

3-(cyclopropylmethyl)pyrrolidin-1-amine (PubChem CID 118556070) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)pyrrolidin-1-amine
PubChem CID118556070
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-(cyclopropylmethyl)pyrrolidin-1-amine
SMILESNN1CCC(CC2CC2)C1
InChIInChI=1S/C8H16N2/c9-10-4-3-8(6-10)5-7-1-2-7/h7-8H,1-6,9H2
InChIKeyBARAWICQMAZHAH-UHFFFAOYSA-N
XLogP0.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)pyrrolidin-1-amine?
The IUPAC name of 3-(cyclopropylmethyl)pyrrolidin-1-amine (CID 118556070) is 3-(cyclopropylmethyl)pyrrolidin-1-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)pyrrolidin-1-amine?
The canonical SMILES for 3-(cyclopropylmethyl)pyrrolidin-1-amine is NN1CCC(CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)pyrrolidin-1-amine?
The InChIKey is BARAWICQMAZHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-10-4-3-8(6-10)5-7-1-2-7/h7-8H,1-6,9H2.
What are the key properties of 3-(cyclopropylmethyl)pyrrolidin-1-amine?
3-(cyclopropylmethyl)pyrrolidin-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)pyrrolidin-1-amine is sourced from PubChem (CID 118556070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).