1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine

C16H32N4 — CID 79061756

IUPAC1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
SMILESCCCn1nccc1C(NCC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H32N4/c1-7-13-20-14(11-12-18-20)15(17-10-4)16(8-2,9-3)19(5)6/h11-12,15,17H,7-10,13H2,1-6H3
InChIKeyGTFZRPFSENBUQF-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.06
Rot. Bonds9

About 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine

1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine (PubChem CID 79061756) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
PubChem CID79061756
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
SMILESCCCn1nccc1C(NCC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H32N4/c1-7-13-20-14(11-12-18-20)15(17-10-4)16(8-2,9-3)19(5)6/h11-12,15,17H,7-10,13H2,1-6H3
InChIKeyGTFZRPFSENBUQF-UHFFFAOYSA-N
XLogP3.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975556
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729
1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064340
1-(4-bromo-1-propylpyrazol-5-yl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656910
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
2-N,2-N-diethyl-2-methyl-1-N-propyl-1-(2-propylpyrazol-3-yl)propane-1,2-diamine
CID 79050831
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
[2-ethyl-2-methoxy-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 105275317
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804

Frequently Asked Questions

What is the IUPAC name of 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine?
The IUPAC name of 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine (CID 79061756) is 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine is CCCn1nccc1C(NCC)C(CC)(CC)N(C)C.
What is the InChIKey of 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine?
The InChIKey is GTFZRPFSENBUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-13-20-14(11-12-18-20)15(17-10-4)16(8-2,9-3)19(5)6/h11-12,15,17H,7-10,13H2,1-6H3.
What are the key properties of 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine?
1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine is sourced from PubChem (CID 79061756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).