[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride

C10H17ClF2N2O — CID 119634302

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H16F2N2O.ClH/c11-10(12)4-7(5-10)9(15)14-3-1-2-8(14)6-13;/h7-8H,1-6,13H2;1H
InChIKeyUZOIYYUDUACZNG-UHFFFAOYSA-N
MW254.71 g/mol
LogP1.40
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (PubChem CID 119634302) has the molecular formula C10H17ClF2N2O and a molecular weight of 254.71 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
PubChem CID119634302
Molecular FormulaC10H17ClF2N2O
Molecular Weight254.71 g/mol
Exact Mass254.10
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H16F2N2O.ClH/c11-10(12)4-7(5-10)9(15)14-3-1-2-8(14)6-13;/h7-8H,1-6,13H2;1H
InChIKeyUZOIYYUDUACZNG-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226481
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119632879
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226636
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119632550
[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119633284
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (CID 119634302) is [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride is Cl.NCC1CCCN1C(=O)C1CC(F)(F)C1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The InChIKey is UZOIYYUDUACZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O.ClH/c11-10(12)4-7(5-10)9(15)14-3-1-2-8(14)6-13;/h7-8H,1-6,13H2;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride has a molecular weight of 254.71 g/mol, XLogP of 1.40, 2 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]-(3,3-difluorocyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 119634302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).