1-(1-methylpyrrolidin-3-yl)propan-1-amine

C8H18N2 — CID 20763626

IUPAC1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCCC(N)C1CCN(C)C1
InChIInChI=1S/C8H18N2/c1-3-8(9)7-4-5-10(2)6-7/h7-8H,3-6,9H2,1-2H3
InChIKeyCOAPSZGLBFUZGR-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.68
Rot. Bonds2

About 1-(1-methylpyrrolidin-3-yl)propan-1-amine

1-(1-methylpyrrolidin-3-yl)propan-1-amine (PubChem CID 20763626) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)propan-1-amine
PubChem CID20763626
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCCC(N)C1CCN(C)C1
InChIInChI=1S/C8H18N2/c1-3-8(9)7-4-5-10(2)6-7/h7-8H,3-6,9H2,1-2H3
InChIKeyCOAPSZGLBFUZGR-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)propan-1-amine (CID 20763626) is 1-(1-methylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)propan-1-amine is CCC(N)C1CCN(C)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is COAPSZGLBFUZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-8(9)7-4-5-10(2)6-7/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)propan-1-amine?
1-(1-methylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 20763626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).