2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine

C12H24N4 — CID 115971740

IUPAC2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
SMILESCCC(CNC(C)c1cn[nH]c1C)N(C)C
InChIInChI=1S/C12H24N4/c1-6-11(16(4)5)7-13-9(2)12-8-14-15-10(12)3/h8-9,11,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyDDLKBQWRMNVSGC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.71
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine

2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine (PubChem CID 115971740) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
PubChem CID115971740
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
SMILESCCC(CNC(C)c1cn[nH]c1C)N(C)C
InChIInChI=1S/C12H24N4/c1-6-11(16(4)5)7-13-9(2)12-8-14-15-10(12)3/h8-9,11,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyDDLKBQWRMNVSGC-UHFFFAOYSA-N
XLogP1.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine with MolForge

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Related Compounds

N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115972018
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
4-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115972844
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
CID 110010541
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
CID 110011191
1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
CID 110010368

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine (CID 115971740) is 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine is CCC(CNC(C)c1cn[nH]c1C)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine?
The InChIKey is DDLKBQWRMNVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-11(16(4)5)7-13-9(2)12-8-14-15-10(12)3/h8-9,11,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine is sourced from PubChem (CID 115971740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).