N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

C16H27N3O — CID 91844213

IUPACN-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1ccn(CCN(CC2CCC2)CC2CCCO2)n1
InChIInChI=1S/C16H27N3O/c1-14-7-8-19(17-14)10-9-18(12-15-4-2-5-15)13-16-6-3-11-20-16/h7-8,15-16H,2-6,9-13H2,1H3
InChIKeyDNMGLWIZBREEGS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds7

About N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 91844213) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID91844213
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1ccn(CCN(CC2CCC2)CC2CCCO2)n1
InChIInChI=1S/C16H27N3O/c1-14-7-8-19(17-14)10-9-18(12-15-4-2-5-15)13-16-6-3-11-20-16/h7-8,15-16H,2-6,9-13H2,1H3
InChIKeyDNMGLWIZBREEGS-UHFFFAOYSA-N
XLogP2.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
CID 124731640
1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole
CID 153355727
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62442751
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62566022
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 62566384
1-[(5-Methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 103140270
1-[(5,5-Dimethyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 113544601
1-(Oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621330
4-fluoro-N-methyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]oxolan-3-amine
CID 126856141
(3R,4S)-4-fluoro-N-methyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]oxolan-3-amine
CID 126856250
3-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 137992524
3-{[2-(ethoxymethyl)pyrrolidin-1-yl]methyl}-1-ethyl-1H-pyrazole
CID 91843670

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 91844213) is N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine is Cc1ccn(CCN(CC2CCC2)CC2CCCO2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DNMGLWIZBREEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-7-8-19(17-14)10-9-18(12-15-4-2-5-15)13-16-6-3-11-20-16/h7-8,15-16H,2-6,9-13H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 91844213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).