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

C10H22N2 — CID 83980580

IUPAC1-(1-methylpyrrolidin-3-yl)pentan-3-amine
SMILESCCC(N)CCC1CCN(C)C1
InChIInChI=1S/C10H22N2/c1-3-10(11)5-4-9-6-7-12(2)8-9/h9-10H,3-8,11H2,1-2H3
InChIKeyPKHJZMBMMZGEOR-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds4

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

1-(1-methylpyrrolidin-3-yl)pentan-3-amine (PubChem CID 83980580) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)pentan-3-amine
PubChem CID83980580
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-(1-methylpyrrolidin-3-yl)pentan-3-amine
SMILESCCC(N)CCC1CCN(C)C1
InChIInChI=1S/C10H22N2/c1-3-10(11)5-4-9-6-7-12(2)8-9/h9-10H,3-8,11H2,1-2H3
InChIKeyPKHJZMBMMZGEOR-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
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)pentan-3-amine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)pentan-3-amine (CID 83980580) is 1-(1-methylpyrrolidin-3-yl)pentan-3-amine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)pentan-3-amine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)pentan-3-amine is CCC(N)CCC1CCN(C)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)pentan-3-amine?
The InChIKey is PKHJZMBMMZGEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-10(11)5-4-9-6-7-12(2)8-9/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)pentan-3-amine?
1-(1-methylpyrrolidin-3-yl)pentan-3-amine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 4 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)pentan-3-amine is sourced from PubChem (CID 83980580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).