N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

C13H26N4 — CID 79088395

IUPACN',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1cnn(CCC)c1
InChIInChI=1S/C13H26N4/c1-5-7-14-13(11-16(3)4)12-9-15-17(10-12)8-6-2/h9-10,13-14H,5-8,11H2,1-4H3
InChIKeyVGOCHYUNWDFOOV-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.90
Rot. Bonds8

About N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 79088395) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID79088395
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1cnn(CCC)c1
InChIInChI=1S/C13H26N4/c1-5-7-14-13(11-16(3)4)12-9-15-17(10-12)8-6-2/h9-10,13-14H,5-8,11H2,1-4H3
InChIKeyVGOCHYUNWDFOOV-UHFFFAOYSA-N
XLogP1.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
CID 114265888
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730531
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 115807952
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731623
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 79088395) is N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCNC(CN(C)C)c1cnn(CCC)c1.
What is the InChIKey of N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is VGOCHYUNWDFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-7-14-13(11-16(3)4)12-9-15-17(10-12)8-6-2/h9-10,13-14H,5-8,11H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 79088395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).