N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

C12H24N4 — CID 106757769

IUPACN'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C)c1ccnn1C
InChIInChI=1S/C12H24N4/c1-10(2)15(4)9-8-13-11(3)12-6-7-14-16(12)5/h6-7,10-11,13H,8-9H2,1-5H3
InChIKeyQWQJFFVZXWVBKQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds6

About N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 106757769) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID106757769
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C)c1ccnn1C
InChIInChI=1S/C12H24N4/c1-10(2)15(4)9-8-13-11(3)12-6-7-14-16(12)5/h6-7,10-11,13H,8-9H2,1-5H3
InChIKeyQWQJFFVZXWVBKQ-UHFFFAOYSA-N
XLogP1.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
CID 106757728
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine
CID 106757702
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 106757769) is N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(NCCN(C)C(C)C)c1ccnn1C.
What is the InChIKey of N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is QWQJFFVZXWVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)15(4)9-8-13-11(3)12-6-7-14-16(12)5/h6-7,10-11,13H,8-9H2,1-5H3.
What are the key properties of N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106757769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).