3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine

C15H30N4 — CID 79068516

IUPAC3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(Cc1cnn(C)c1)NC
InChIInChI=1S/C15H30N4/c1-7-15(4,19(8-2)9-3)14(16-5)10-13-11-17-18(6)12-13/h11-12,14,16H,7-10H2,1-6H3
InChIKeyXOXSBMUTCIEJAM-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.06
Rot. Bonds8

About 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine

3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine (PubChem CID 79068516) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine
PubChem CID79068516
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(Cc1cnn(C)c1)NC
InChIInChI=1S/C15H30N4/c1-7-15(4,19(8-2)9-3)14(16-5)10-13-11-17-18(6)12-13/h11-12,14,16H,7-10H2,1-6H3
InChIKeyXOXSBMUTCIEJAM-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-1-(1-methylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79068880
2-N,3-N,3-N,3-tetramethyl-1-(1-methylpyrazol-4-yl)butane-2,3-diamine
CID 79053603
3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol
CID 103448660
N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103015930
3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
CID 79068599
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79068987
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65403165
2-N,2-N-diethyl-1-N,2-dimethyl-1-(2-methylpyrazol-3-yl)butane-1,2-diamine
CID 79068676

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine (CID 79068516) is 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine is CCN(CC)C(C)(CC)C(Cc1cnn(C)c1)NC.
What is the InChIKey of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine?
The InChIKey is XOXSBMUTCIEJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-15(4,19(8-2)9-3)14(16-5)10-13-11-17-18(6)12-13/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine?
3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine is sourced from PubChem (CID 79068516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).