N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine

C12H23N3 — CID 82882880

IUPACN-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-5-13-9-11(3)10(2)8-12-6-7-15(4)14-12/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeyUYEOEJFMIBFMRY-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.84
Rot. Bonds6

About N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine

N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine (PubChem CID 82882880) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
PubChem CID82882880
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-5-13-9-11(3)10(2)8-12-6-7-15(4)14-12/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeyUYEOEJFMIBFMRY-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116565256
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871545
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
[3-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105219619
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614
2,3-dimethyl-4-(1-methylpyrazol-3-yl)butanoic acid
CID 82882518
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine (CID 82882880) is N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine is CCNCC(C)C(C)Cc1ccn(C)n1.
What is the InChIKey of N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is UYEOEJFMIBFMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-13-9-11(3)10(2)8-12-6-7-15(4)14-12/h6-7,10-11,13H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 82882880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).