N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine

C12H23N3 — CID 83159652

IUPACN,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCNCC(C)(Cc1ccn(C)n1)C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)12(3,9-13-4)8-11-6-7-15(5)14-11/h6-7,10,13H,8-9H2,1-5H3
InChIKeySHMVMUQBTFDJQG-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.84
Rot. Bonds5

About N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine

N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 83159652) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID83159652
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCNCC(C)(Cc1ccn(C)n1)C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)12(3,9-13-4)8-11-6-7-15(5)14-11/h6-7,10,13H,8-9H2,1-5H3
InChIKeySHMVMUQBTFDJQG-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83159858
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116586852
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83160224
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159740

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (CID 83159652) is N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is CNCC(C)(Cc1ccn(C)n1)C(C)C.
What is the InChIKey of N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is SHMVMUQBTFDJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)12(3,9-13-4)8-11-6-7-15(5)14-11/h6-7,10,13H,8-9H2,1-5H3.
What are the key properties of N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 83159652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).