2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine

C10H19N3 — CID 65246794

IUPAC2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCc1cnn(CCC(C)(C)CN)c1
InChIInChI=1S/C10H19N3/c1-9-6-12-13(7-9)5-4-10(2,3)8-11/h6-7H,4-5,8,11H2,1-3H3
InChIKeyHFQWUDNFBWCLON-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.57
Rot. Bonds4

About 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine

2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine (PubChem CID 65246794) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine
PubChem CID65246794
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCc1cnn(CCC(C)(C)CN)c1
InChIInChI=1S/C10H19N3/c1-9-6-12-13(7-9)5-4-10(2,3)8-11/h6-7H,4-5,8,11H2,1-3H3
InChIKeyHFQWUDNFBWCLON-UHFFFAOYSA-N
XLogP1.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile
CID 65256648
5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
CID 65255899
2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64811325
1-amino-4-(4-methylpyrazol-1-yl)butan-2-ol
CID 64821224
2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695357
2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
1-(4-bromobutyl)-4-methylpyrazole
CID 60871748
2-amino-2-methyl-3-(4-methylpyrazol-1-yl)propan-1-ol
CID 64809447
1-[2-(2-chloroethoxy)ethyl]-4-methylpyrazole
CID 63664389
(4-methylpyrazol-1-yl)methanol
CID 7172181
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
CID 79628887

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine (CID 65246794) is 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine is Cc1cnn(CCC(C)(C)CN)c1.
What is the InChIKey of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine?
The InChIKey is HFQWUDNFBWCLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9-6-12-13(7-9)5-4-10(2,3)8-11/h6-7H,4-5,8,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine?
2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 65246794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).