1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C14H28N4 — CID 65192315

IUPAC1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCc1nn(C)cc1C(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H28N4/c1-10(2)14(17(5)6)8-15-11(3)13-9-18(7)16-12(13)4/h9-11,14-15H,8H2,1-7H3
InChIKeyZQNYEJCGIGFAJN-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.97
Rot. Bonds6

About 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 65192315) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID65192315
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCc1nn(C)cc1C(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H28N4/c1-10(2)14(17(5)6)8-15-11(3)13-9-18(7)16-12(13)4/h9-11,14-15H,8H2,1-7H3
InChIKeyZQNYEJCGIGFAJN-UHFFFAOYSA-N
XLogP1.97
TPSA33.09 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-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

(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79548132
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895432
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 65192315) is 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is Cc1nn(C)cc1C(C)NCC(C(C)C)N(C)C.
What is the InChIKey of 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is ZQNYEJCGIGFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-10(2)14(17(5)6)8-15-11(3)13-9-18(7)16-12(13)4/h9-11,14-15H,8H2,1-7H3.
What are the key properties of 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 65192315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).