N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine

C12H23N3 — CID 114555701

IUPACN-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccnn1CC
InChIInChI=1S/C12H23N3/c1-4-6-7-11(3)13-10-12-8-9-14-15(12)5-2/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyVKQOEKKWJWQAJV-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.57
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine

N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine (PubChem CID 114555701) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
PubChem CID114555701
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccnn1CC
InChIInChI=1S/C12H23N3/c1-4-6-7-11(3)13-10-12-8-9-14-15(12)5-2/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyVKQOEKKWJWQAJV-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
N-[(2-ethylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 115761765
1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine
CID 115761813
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761847
4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine
CID 114554873
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104587715

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine (CID 114555701) is N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine is CCCCC(C)NCc1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine?
The InChIKey is VKQOEKKWJWQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-11(3)13-10-12-8-9-14-15(12)5-2/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine?
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 114555701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).