1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one

C10H20N2O — CID 170198232

IUPAC1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one
SMILESCCNCC1CCN1C(=O)C(C)C
InChIInChI=1S/C10H20N2O/c1-4-11-7-9-5-6-12(9)10(13)8(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyZYHWROVJODPMTL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds4

About 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one

1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one (PubChem CID 170198232) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one
PubChem CID170198232
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one
SMILESCCNCC1CCN1C(=O)C(C)C
InChIInChI=1S/C10H20N2O/c1-4-11-7-9-5-6-12(9)10(13)8(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyZYHWROVJODPMTL-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 144853356
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62839819
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one (CID 170198232) is 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one is CCNCC1CCN1C(=O)C(C)C.
What is the InChIKey of 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZYHWROVJODPMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-11-7-9-5-6-12(9)10(13)8(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one?
1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 170198232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).