N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine

C12H24N4 — CID 62592776

IUPACN'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCn1cccn1
InChIInChI=1S/C12H24N4/c1-12(2)11-13-6-8-15(3)9-10-16-7-4-5-14-16/h4-5,7,12-13H,6,8-11H2,1-3H3
InChIKeyCYCKEZDQAQURIG-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.06
Rot. Bonds8

About N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine (PubChem CID 62592776) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
PubChem CID62592776
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCn1cccn1
InChIInChI=1S/C12H24N4/c1-12(2)11-13-6-8-15(3)9-10-16-7-4-5-14-16/h4-5,7,12-13H,6,8-11H2,1-3H3
InChIKeyCYCKEZDQAQURIG-UHFFFAOYSA-N
XLogP1.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
3-[methyl(2-pyrazol-1-ylethyl)amino]propanenitrile
CID 61491798
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
CID 56828866
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
CID 119928890
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 103272301
3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
CID 61491625
3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982786

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine (CID 62592776) is N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine is CC(C)CNCCN(C)CCn1cccn1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The InChIKey is CYCKEZDQAQURIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-12(2)11-13-6-8-15(3)9-10-16-7-4-5-14-16/h4-5,7,12-13H,6,8-11H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62592776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).