N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine

C13H25N3 — CID 103004349

IUPACN,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine
SMILESCNC(CCCc1ccnn1C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-13(2,3)12(14-4)8-6-7-11-9-10-15-16(11)5/h9-10,12,14H,6-8H2,1-5H3
InChIKeyQMBILJONKGFGDG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds5

About N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine

N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine (PubChem CID 103004349) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine
PubChem CID103004349
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine
SMILESCNC(CCCc1ccnn1C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-13(2,3)12(14-4)8-6-7-11-9-10-15-16(11)5/h9-10,12,14H,6-8H2,1-5H3
InChIKeyQMBILJONKGFGDG-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
5-(5-bromo-6,6-dimethylheptyl)-1-methylpyrazole
CID 103016073
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956
1-(4-tert-butylcyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010665
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine?
The IUPAC name of N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine (CID 103004349) is N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine?
The canonical SMILES for N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine is CNC(CCCc1ccnn1C)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine?
The InChIKey is QMBILJONKGFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,3)12(14-4)8-6-7-11-9-10-15-16(11)5/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine?
N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine is sourced from PubChem (CID 103004349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).