N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine

C14H28N4 — CID 114075541

IUPACN-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cnn(C(C)C)c1
InChIInChI=1S/C14H28N4/c1-7-14(4,5)17(6)13(8-15)12-9-16-18(10-12)11(2)3/h9-11,13H,7-8,15H2,1-6H3
InChIKeyJZHHSDLZGWRZQI-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine

N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 114075541) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID114075541
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cnn(C(C)C)c1
InChIInChI=1S/C14H28N4/c1-7-14(4,5)17(6)13(8-15)12-9-16-18(10-12)11(2)3/h9-11,13H,7-8,15H2,1-6H3
InChIKeyJZHHSDLZGWRZQI-UHFFFAOYSA-N
XLogP2.58
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine 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

N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378810
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983749
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983958
4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
CID 83835021
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436
1-(1-propan-2-ylpyrazol-4-yl)ethanethiol
CID 126561609
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983095
4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
CID 164784593
2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
CID 115718660
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63980732

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine (CID 114075541) is N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)c1cnn(C(C)C)c1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is JZHHSDLZGWRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-14(4,5)17(6)13(8-15)12-9-16-18(10-12)11(2)3/h9-11,13H,7-8,15H2,1-6H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114075541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).