2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine

C11H19N3 — CID 66409144

IUPAC2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1cc(CNCCN2CCCC2)c[nH]1
InChIInChI=1S/C11H19N3/c1-2-7-14(6-1)8-5-13-10-11-3-4-12-9-11/h3-4,9,12-13H,1-2,5-8,10H2
InChIKeyYAHGSHNUBCZAJE-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.20
Rot. Bonds5

About 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine

2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 66409144) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID66409144
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1cc(CNCCN2CCCC2)c[nH]1
InChIInChI=1S/C11H19N3/c1-2-7-14(6-1)8-5-13-10-11-3-4-12-9-11/h3-4,9,12-13H,1-2,5-8,10H2
InChIKeyYAHGSHNUBCZAJE-UHFFFAOYSA-N
XLogP1.20
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole
CID 174722909
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 112705216
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66410016
N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 61037688
4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
CID 60697219

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 66409144) is 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine is c1cc(CNCCN2CCCC2)c[nH]1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is YAHGSHNUBCZAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-7-14(6-1)8-5-13-10-11-3-4-12-9-11/h3-4,9,12-13H,1-2,5-8,10H2.
What are the key properties of 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 66409144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).