N-methyl-3-pyrrolidin-1-ylpropan-1-amine

C8H18N2 — CID 14975128

IUPACN-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNCCCN1CCCC1
InChIInChI=1S/C8H18N2/c1-9-5-4-8-10-6-2-3-7-10/h9H,2-8H2,1H3
InChIKeyPBKBNZLWSVHLAG-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds4

About N-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 14975128) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID14975128
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNCCCN1CCCC1
InChIInChI=1S/C8H18N2/c1-9-5-4-8-10-6-2-3-7-10/h9H,2-8H2,1H3
InChIKeyPBKBNZLWSVHLAG-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 14975128) is N-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-pyrrolidin-1-ylpropan-1-amine is CNCCCN1CCCC1.
What is the InChIKey of N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is PBKBNZLWSVHLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-9-5-4-8-10-6-2-3-7-10/h9H,2-8H2,1H3.
What are the key properties of N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 14975128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).