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

C15H20N2O — CID 81479336

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESNCC1CCN(C(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c16-9-11-6-7-17(10-11)15(18)14-8-13(14)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10,16H2
InChIKeyUYZPEEMNRZMMCX-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.60
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 81479336) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID81479336
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESNCC1CCN(C(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c16-9-11-6-7-17(10-11)15(18)14-8-13(14)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10,16H2
InChIKeyUYZPEEMNRZMMCX-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone
CID 124778448
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 124865626
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
CID 119485273
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 81479336) is [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone is NCC1CCN(C(=O)C2CC2c2ccccc2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is UYZPEEMNRZMMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-9-11-6-7-17(10-11)15(18)14-8-13(14)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10,16H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 81479336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).