2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine

C11H22N4 — CID 115741469

IUPAC2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H22N4/c1-9(2)15-6-5-11(13-15)8-14(4)10(3)7-12/h5-6,9-10H,7-8,12H2,1-4H3
InChIKeyZHKRKNAZYJCULT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds5

About 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine

2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine (PubChem CID 115741469) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
PubChem CID115741469
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H22N4/c1-9(2)15-6-5-11(13-15)8-14(4)10(3)7-12/h5-6,9-10H,7-8,12H2,1-4H3
InChIKeyZHKRKNAZYJCULT-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 64773049
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64772866
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
CID 81490431
1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116652941
3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine
CID 64771662
2-[methyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanethioamide
CID 64801293
N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 113468470
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64772112
4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one
CID 79120244
2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773175
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 64801185

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine (CID 115741469) is 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine is CC(CN)N(C)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is ZHKRKNAZYJCULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)15-6-5-11(13-15)8-14(4)10(3)7-12/h5-6,9-10H,7-8,12H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115741469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).