N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine

C17H33N3 — CID 103030436

IUPACN-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
SMILESCCNC(CCc1ccnn1C)CC(C)CC(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-18-15(12-14(2)13-17(3,4)5)8-9-16-10-11-19-20(16)6/h10-11,14-15,18H,7-9,12-13H2,1-6H3
InChIKeyUGDIBCYCCAGXBK-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.79
Rot. Bonds8

About N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine

N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine (PubChem CID 103030436) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine.

Molecular Properties

Compound NameN-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
PubChem CID103030436
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
SMILESCCNC(CCc1ccnn1C)CC(C)CC(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-18-15(12-14(2)13-17(3,4)5)8-9-16-10-11-19-20(16)6/h10-11,14-15,18H,7-9,12-13H2,1-6H3
InChIKeyUGDIBCYCCAGXBK-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
CID 104997840
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103149610
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine
CID 103012395
1-(3-bromophenyl)sulfanyl-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103010950
N-ethyl-1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009870
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine?
The IUPAC name of N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine (CID 103030436) is N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine.
What is the SMILES notation for N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine?
The canonical SMILES for N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine is CCNC(CCc1ccnn1C)CC(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine?
The InChIKey is UGDIBCYCCAGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-18-15(12-14(2)13-17(3,4)5)8-9-16-10-11-19-20(16)6/h10-11,14-15,18H,7-9,12-13H2,1-6H3.
What are the key properties of N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine?
N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine is sourced from PubChem (CID 103030436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).