N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine

C15H29N3 — CID 103014546

IUPACN-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCC(C)(CCc1ccnn1C)CNC(C)(C)C
InChIInChI=1S/C15H29N3/c1-7-15(5,12-16-14(2,3)4)10-8-13-9-11-17-18(13)6/h9,11,16H,7-8,10,12H2,1-6H3
InChIKeyIBWARPCRKZUGGF-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.16
Rot. Bonds6

About N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine

N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 103014546) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID103014546
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCC(C)(CCc1ccnn1C)CNC(C)(C)C
InChIInChI=1S/C15H29N3/c1-7-15(5,12-16-14(2,3)4)10-8-13-9-11-17-18(13)6/h9,11,16H,7-8,10,12H2,1-6H3
InChIKeyIBWARPCRKZUGGF-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014491
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005061
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
2-ethyl-2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 103542551
3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103006315

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine (CID 103014546) is N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine is CCC(C)(CCc1ccnn1C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is IBWARPCRKZUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-15(5,12-16-14(2,3)4)10-8-13-9-11-17-18(13)6/h9,11,16H,7-8,10,12H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103014546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).