N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine

C10H19N3 — CID 82877634

IUPACN,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCNC(Cc1ccn(C)n1)C(C)C
InChIInChI=1S/C10H19N3/c1-8(2)10(11-3)7-9-5-6-13(4)12-9/h5-6,8,10-11H,7H2,1-4H3
InChIKeyQJFRBQJJOGENHQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds4

About N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine

N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine (PubChem CID 82877634) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
PubChem CID82877634
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCNC(Cc1ccn(C)n1)C(C)C
InChIInChI=1S/C10H19N3/c1-8(2)10(11-3)7-9-5-6-13(4)12-9/h5-6,8,10-11H,7H2,1-4H3
InChIKeyQJFRBQJJOGENHQ-UHFFFAOYSA-N
XLogP1.21
TPSA29.85 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
[3-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105219619
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876191
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025251
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83138737
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine (CID 82877634) is N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine is CNC(Cc1ccn(C)n1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is QJFRBQJJOGENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)10(11-3)7-9-5-6-13(4)12-9/h5-6,8,10-11H,7H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 82877634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).