N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine

C13H26N4 — CID 79645097

IUPACN',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCc1nn(C)c(C)c1CN(C)CC(C)(C)CN
InChIInChI=1S/C13H26N4/c1-10-12(11(2)17(6)15-10)7-16(5)9-13(3,4)8-14/h7-9,14H2,1-6H3
InChIKeyACUCWWIXRZKINW-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.45
Rot. Bonds5

About N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 79645097) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID79645097
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCc1nn(C)c(C)c1CN(C)CC(C)(C)CN
InChIInChI=1S/C13H26N4/c1-10-12(11(2)17(6)15-10)7-16(5)9-13(3,4)8-14/h7-9,14H2,1-6H3
InChIKeyACUCWWIXRZKINW-UHFFFAOYSA-N
XLogP1.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N'-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79651963
N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652154
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 119654378
N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842917
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
ethyl 2-[4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120842921
N'-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842845
N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 79647393
N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661433
N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 103102216
4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 59743946

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 79645097) is N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine is Cc1nn(C)c(C)c1CN(C)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is ACUCWWIXRZKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10-12(11(2)17(6)15-10)7-16(5)9-13(3,4)8-14/h7-9,14H2,1-6H3.
What are the key properties of N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79645097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).