3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one

C10H20N2O — CID 81070854

IUPAC3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-9(8-11)7-10(13)12-5-3-4-6-12/h9H,2-8,11H2,1H3
InChIKeyGHVGZBOKWWBTKS-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds4

About 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one

3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 81070854) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
PubChem CID81070854
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-9(8-11)7-10(13)12-5-3-4-6-12/h9H,2-8,11H2,1H3
InChIKeyGHVGZBOKWWBTKS-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 81087100
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 178004280
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301
1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
CID 81087190
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 81079245

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one (CID 81070854) is 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one is CCC(CN)CC(=O)N1CCCC1.
What is the InChIKey of 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is GHVGZBOKWWBTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-9(8-11)7-10(13)12-5-3-4-6-12/h9H,2-8,11H2,1H3.
What are the key properties of 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one?
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 81070854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).