5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine

C12H23N3 — CID 78920997

IUPAC5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
SMILESCC(C)CCC(C)NCc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-10(2)5-6-11(3)13-9-12-7-8-15(4)14-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyQQNVQJDHGLCVCJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.33
Rot. Bonds6

About 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine

5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine (PubChem CID 78920997) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
PubChem CID78920997
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
SMILESCC(C)CCC(C)NCc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-10(2)5-6-11(3)13-9-12-7-8-15(4)14-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyQQNVQJDHGLCVCJ-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82871909
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 78921223
N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
CID 156571070
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 78947948
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine (CID 78920997) is 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine is CC(C)CCC(C)NCc1ccn(C)n1.
What is the InChIKey of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine?
The InChIKey is QQNVQJDHGLCVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)5-6-11(3)13-9-12-7-8-15(4)14-12/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine?
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 78920997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).