(3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone

C13H24N2O — CID 107184646

IUPAC(3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone
SMILESCCCC1(N)CN(C(=O)C2CCCC2C)C1
InChIInChI=1S/C13H24N2O/c1-3-7-13(14)8-15(9-13)12(16)11-6-4-5-10(11)2/h10-11H,3-9,14H2,1-2H3
InChIKeyURQLBUAHFZNFNP-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds3

About (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone

(3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone (PubChem CID 107184646) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone
PubChem CID107184646
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone
SMILESCCCC1(N)CN(C(=O)C2CCCC2C)C1
InChIInChI=1S/C13H24N2O/c1-3-7-13(14)8-15(9-13)12(16)11-6-4-5-10(11)2/h10-11H,3-9,14H2,1-2H3
InChIKeyURQLBUAHFZNFNP-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclobutyl-3-propylazetidine-1-carboxamide
CID 116658892
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone
CID 103282581
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107181051
2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid
CID 107175580
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175456
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107184264
2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 107214585
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
3-fluoro-1-(2-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 122129365
1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166996

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone (CID 107184646) is (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone is CCCC1(N)CN(C(=O)C2CCCC2C)C1.
What is the InChIKey of (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is URQLBUAHFZNFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-7-13(14)8-15(9-13)12(16)11-6-4-5-10(11)2/h10-11H,3-9,14H2,1-2H3.
What are the key properties of (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone?
(3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107184646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).