N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C11H22N4 — CID 43272781

IUPACN-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1cnn(C)c1
InChIInChI=1S/C11H22N4/c1-5-9(2)15(4)11(6-12)10-7-13-14(3)8-10/h7-9,11H,5-6,12H2,1-4H3
InChIKeyUQYFBPGMVMLELN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds5

About N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 43272781) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID43272781
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1cnn(C)c1
InChIInChI=1S/C11H22N4/c1-5-9(2)15(4)11(6-12)10-7-13-14(3)8-10/h7-9,11H,5-6,12H2,1-4H3
InChIKeyUQYFBPGMVMLELN-UHFFFAOYSA-N
XLogP1.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885
N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43125888
N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571806
N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893091
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199868
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 54987034
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43126047
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 61411834
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564795
1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-(1-methylsulfanylpropan-2-yl)butane-1,2-diamine
CID 112657725

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 43272781) is N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CCC(C)N(C)C(CN)c1cnn(C)c1.
What is the InChIKey of N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is UQYFBPGMVMLELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-9(2)15(4)11(6-12)10-7-13-14(3)8-10/h7-9,11H,5-6,12H2,1-4H3.
What are the key properties of N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43272781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).