[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone

C15H20N2O — CID 81482768

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESNCC1CCCN1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20N2O/c16-10-12-7-4-8-17(12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10,16H2
InChIKeyNQDHLYWIEXOSLK-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.74
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 81482768) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID81482768
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESNCC1CCCN1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20N2O/c16-10-12-7-4-8-17(12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10,16H2
InChIKeyNQDHLYWIEXOSLK-UHFFFAOYSA-N
XLogP1.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
CID 124573529
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119467931
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609165
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129380793
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596017
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 81482768) is [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone is NCC1CCCN1C(=O)C1CC1c1ccccc1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is NQDHLYWIEXOSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-10-12-7-4-8-17(12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10,16H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 81482768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).