[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone

C14H24N2O2 — CID 107218784

IUPAC[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
SMILESNCC1(C(=O)N2CC(O)(C3CC3)C2)CCCCC1
InChIInChI=1S/C14H24N2O2/c15-8-13(6-2-1-3-7-13)12(17)16-9-14(18,10-16)11-4-5-11/h11,18H,1-10,15H2
InChIKeyNTSTZQQUINVSSD-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.88
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone

[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107218784) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107218784
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
SMILESNCC1(C(=O)N2CC(O)(C3CC3)C2)CCCCC1
InChIInChI=1S/C14H24N2O2/c15-8-13(6-2-1-3-7-13)12(17)16-9-14(18,10-16)11-4-5-11/h11,18H,1-10,15H2
InChIKeyNTSTZQQUINVSSD-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
CID 107218721
[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219838
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219374
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81463790
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 79938168

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone (CID 107218784) is [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone is NCC1(C(=O)N2CC(O)(C3CC3)C2)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is NTSTZQQUINVSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-8-13(6-2-1-3-7-13)12(17)16-9-14(18,10-16)11-4-5-11/h11,18H,1-10,15H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).