N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

C12H21N3 — CID 65191855

IUPACN-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NCC1CCC1
InChIInChI=1S/C12H21N3/c1-9(13-7-11-5-4-6-11)12-8-15(3)14-10(12)2/h8-9,11,13H,4-7H2,1-3H3
InChIKeyYCWBJMALYIZRGH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds4

About N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 65191855) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID65191855
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NCC1CCC1
InChIInChI=1S/C12H21N3/c1-9(13-7-11-5-4-6-11)12-8-15(3)14-10(12)2/h8-9,11,13H,4-7H2,1-3H3
InChIKeyYCWBJMALYIZRGH-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778774
3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113262059
1-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 65197077
1-(1,3-dimethylpyrazol-4-yl)-N-(thian-2-ylmethyl)ethanamine
CID 80600445
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103782776
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 65197237
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856
1-(1,3-dimethylpyrazol-4-yl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 65197124
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 65191855) is N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)cc1C(C)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is YCWBJMALYIZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(13-7-11-5-4-6-11)12-8-15(3)14-10(12)2/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65191855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).