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

C12H24N4 — CID 64773049

IUPAC2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCC(C)n1ccc(CN(C)C(C)(C)CN)n1
InChIInChI=1S/C12H24N4/c1-10(2)16-7-6-11(14-16)8-15(5)12(3,4)9-13/h6-7,10H,8-9,13H2,1-5H3
InChIKeyMKAMSCACPNNZLN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds5

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

2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine (PubChem CID 64773049) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
PubChem CID64773049
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCC(C)n1ccc(CN(C)C(C)(C)CN)n1
InChIInChI=1S/C12H24N4/c1-10(2)16-7-6-11(14-16)8-15(5)12(3,4)9-13/h6-7,10H,8-9,13H2,1-5H3
InChIKeyMKAMSCACPNNZLN-UHFFFAOYSA-N
XLogP1.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 64801185
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
CID 64800225
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64772112
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64772866
4-amino-3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 116600015
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
CID 81490431
3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine
CID 64771662
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
CID 64801567
N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 113468470
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine (CID 64773049) is 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine is CC(C)n1ccc(CN(C)C(C)(C)CN)n1.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is MKAMSCACPNNZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)16-7-6-11(14-16)8-15(5)12(3,4)9-13/h6-7,10H,8-9,13H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine?
2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 64773049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).