[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

C14H18N2O — CID 116600320

IUPAC[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESNCC1(C(=O)C2CCc3cccnc32)CCC1
InChIInChI=1S/C14H18N2O/c15-9-14(6-2-7-14)13(17)11-5-4-10-3-1-8-16-12(10)11/h1,3,8,11H,2,4-7,9,15H2
InChIKeyPBAZQNZCPPFXMR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.81
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (PubChem CID 116600320) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
PubChem CID116600320
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESNCC1(C(=O)C2CCc3cccnc32)CCC1
InChIInChI=1S/C14H18N2O/c15-9-14(6-2-7-14)13(17)11-5-4-10-3-1-8-16-12(10)11/h1,3,8,11H,2,4-7,9,15H2
InChIKeyPBAZQNZCPPFXMR-UHFFFAOYSA-N
XLogP1.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115783694
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877
(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116707061
2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745664
[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 116590039
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
CID 116554606
2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 115783755
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (CID 116600320) is [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is NCC1(C(=O)C2CCc3cccnc32)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The InChIKey is PBAZQNZCPPFXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-9-14(6-2-7-14)13(17)11-5-4-10-3-1-8-16-12(10)11/h1,3,8,11H,2,4-7,9,15H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is sourced from PubChem (CID 116600320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).