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

C8H18N2 — CID 19691323

IUPACN-methyl-1-pyrrolidin-3-ylpropan-1-amine
SMILESCCC(NC)C1CCNC1
InChIInChI=1S/C8H18N2/c1-3-8(9-2)7-4-5-10-6-7/h7-10H,3-6H2,1-2H3
InChIKeyGSNOCHCMGISTJB-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.59
Rot. Bonds3

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

N-methyl-1-pyrrolidin-3-ylpropan-1-amine (PubChem CID 19691323) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-methyl-1-pyrrolidin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-pyrrolidin-3-ylpropan-1-amine
PubChem CID19691323
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-methyl-1-pyrrolidin-3-ylpropan-1-amine
SMILESCCC(NC)C1CCNC1
InChIInChI=1S/C8H18N2/c1-3-8(9-2)7-4-5-10-6-7/h7-10H,3-6H2,1-2H3
InChIKeyGSNOCHCMGISTJB-UHFFFAOYSA-N
XLogP0.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.59
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-3-ylpropan-1-amine?
The IUPAC name of N-methyl-1-pyrrolidin-3-ylpropan-1-amine (CID 19691323) is N-methyl-1-pyrrolidin-3-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-pyrrolidin-3-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-pyrrolidin-3-ylpropan-1-amine is CCC(NC)C1CCNC1.
What is the InChIKey of N-methyl-1-pyrrolidin-3-ylpropan-1-amine?
The InChIKey is GSNOCHCMGISTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-8(9-2)7-4-5-10-6-7/h7-10H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-pyrrolidin-3-ylpropan-1-amine?
N-methyl-1-pyrrolidin-3-ylpropan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrolidin-3-ylpropan-1-amine is sourced from PubChem (CID 19691323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).