pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine

C9H15N3 — CID 116935548

IUPACpyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
SMILESNC(c1cc[nH]c1)C1CCNC1
InChIInChI=1S/C9H15N3/c10-9(7-1-3-11-5-7)8-2-4-12-6-8/h1,3,5,8-9,11-12H,2,4,6,10H2
InChIKeyGUPNGRFPEKJOOO-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.62
Rot. Bonds2

About pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine

pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine (PubChem CID 116935548) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Namepyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
PubChem CID116935548
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Namepyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
SMILESNC(c1cc[nH]c1)C1CCNC1
InChIInChI=1S/C9H15N3/c10-9(7-1-3-11-5-7)8-2-4-12-6-8/h1,3,5,8-9,11-12H,2,4,6,10H2
InChIKeyGUPNGRFPEKJOOO-UHFFFAOYSA-N
XLogP0.62
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
3-[amino(pyrrolidin-3-yl)methyl]phenol
CID 105446386
1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
CID 82303054
(S)-cyclopropyl(1H-pyrrol-3-yl)methanol
CID 141285307
1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
CID 82290436
N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine
CID 116825058
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine?
The IUPAC name of pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine (CID 116935548) is pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine is NC(c1cc[nH]c1)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine?
The InChIKey is GUPNGRFPEKJOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-9(7-1-3-11-5-7)8-2-4-12-6-8/h1,3,5,8-9,11-12H,2,4,6,10H2.
What are the key properties of pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine?
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 116935548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).