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

C10H17N3 — CID 116936135

IUPAC2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
SMILESNC(CC1CCNC1)c1cc[nH]c1
InChIInChI=1S/C10H17N3/c11-10(9-2-4-13-7-9)5-8-1-3-12-6-8/h2,4,7-8,10,12-13H,1,3,5-6,11H2
InChIKeyBVDNPFFJXTUYJP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds3

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

2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine (PubChem CID 116936135) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
PubChem CID116936135
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
SMILESNC(CC1CCNC1)c1cc[nH]c1
InChIInChI=1S/C10H17N3/c11-10(9-2-4-13-7-9)5-8-1-3-12-6-8/h2,4,7-8,10,12-13H,1,3,5-6,11H2
InChIKeyBVDNPFFJXTUYJP-UHFFFAOYSA-N
XLogP1.01
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
CID 116935548
2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
CID 116936073
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
1-(3-bromophenyl)-2-piperidin-4-ylethanamine
CID 116936511
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine (CID 116936135) is 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine is NC(CC1CCNC1)c1cc[nH]c1.
What is the InChIKey of 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is BVDNPFFJXTUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-10(9-2-4-13-7-9)5-8-1-3-12-6-8/h2,4,7-8,10,12-13H,1,3,5-6,11H2.
What are the key properties of 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine?
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 116936135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).