N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine

C13H26N4 — CID 113409000

IUPACN,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine
SMILESCNCCN(C)CCCc1c(C)nn(C)c1C
InChIInChI=1S/C13H26N4/c1-11-13(12(2)17(5)15-11)7-6-9-16(4)10-8-14-3/h14H,6-10H2,1-5H3
InChIKeyAJYVNNPWSKOTNU-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.12
Rot. Bonds7

About N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine (PubChem CID 113409000) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine
PubChem CID113409000
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine
SMILESCNCCN(C)CCCc1c(C)nn(C)c1C
InChIInChI=1S/C13H26N4/c1-11-13(12(2)17(5)15-11)7-6-9-16(4)10-8-14-3/h14H,6-10H2,1-5H3
InChIKeyAJYVNNPWSKOTNU-UHFFFAOYSA-N
XLogP1.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119731668
N-[3-(N-methylanilino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51305394
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119725168
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine (CID 113409000) is N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine is CNCCN(C)CCCc1c(C)nn(C)c1C.
What is the InChIKey of N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine?
The InChIKey is AJYVNNPWSKOTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11-13(12(2)17(5)15-11)7-6-9-16(4)10-8-14-3/h14H,6-10H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 113409000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).