N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine

C14H27N3 — CID 103014439

IUPACN-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCn1cc(CCC(C)(C)CNC(C)(C)C)cn1
InChIInChI=1S/C14H27N3/c1-13(2,3)15-11-14(4,5)8-7-12-9-16-17(6)10-12/h9-10,15H,7-8,11H2,1-6H3
InChIKeyXBFMRTJNMRNAQU-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds5

About N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine

N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 103014439) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID103014439
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCn1cc(CCC(C)(C)CNC(C)(C)C)cn1
InChIInChI=1S/C14H27N3/c1-13(2,3)15-11-14(4,5)8-7-12-9-16-17(6)10-12/h9-10,15H,7-8,11H2,1-6H3
InChIKeyXBFMRTJNMRNAQU-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 103014471
2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine
CID 103001701
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
3-methyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 106175780
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
1-(4-hydroxy-2,2-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505788
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 103015778
N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62260529
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115621711

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 103014439) is N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine is Cn1cc(CCC(C)(C)CNC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is XBFMRTJNMRNAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-13(2,3)15-11-14(4,5)8-7-12-9-16-17(6)10-12/h9-10,15H,7-8,11H2,1-6H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103014439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).