3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine

C15H29N3 — CID 103014335

IUPAC3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCC(C)CNCC(CCc1cnn(C)c1)C(C)C
InChIInChI=1S/C15H29N3/c1-12(2)8-16-10-15(13(3)4)7-6-14-9-17-18(5)11-14/h9,11-13,15-16H,6-8,10H2,1-5H3
InChIKeyAKZUEAOPEZCXIU-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.87
Rot. Bonds8

About 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine

3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine (PubChem CID 103014335) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
PubChem CID103014335
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCC(C)CNCC(CCc1cnn(C)c1)C(C)C
InChIInChI=1S/C15H29N3/c1-12(2)8-16-10-15(13(3)4)7-6-14-9-17-18(5)11-14/h9,11-13,15-16H,6-8,10H2,1-5H3
InChIKeyAKZUEAOPEZCXIU-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 103002168
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62530134
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
2-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-en-1-amine
CID 103014875
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
CID 103014311
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine (CID 103014335) is 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine is CC(C)CNCC(CCc1cnn(C)c1)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
The InChIKey is AKZUEAOPEZCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)8-16-10-15(13(3)4)7-6-14-9-17-18(5)11-14/h9,11-13,15-16H,6-8,10H2,1-5H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103014335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).