N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine

C16H33N5 — CID 115989943

IUPACN-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H33N5/c1-7-15-14(12-20(6)18-15)16(10-17)21(11-13(2)3)9-8-19(4)5/h12-13,16H,7-11,17H2,1-6H3
InChIKeyGKTMSAMLDKBNLP-UHFFFAOYSA-N
MW295.48 g/mol
LogP1.50
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine

N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 115989943) has the molecular formula C16H33N5 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID115989943
Molecular FormulaC16H33N5
Molecular Weight295.48 g/mol
Exact Mass295.27
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H33N5/c1-7-15-14(12-20(6)18-15)16(10-17)21(11-13(2)3)9-8-19(4)5/h12-13,16H,7-11,17H2,1-6H3
InChIKeyGKTMSAMLDKBNLP-UHFFFAOYSA-N
XLogP1.50
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 112669289
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 112669268
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669585
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 115989817
N-(cyclopropylmethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 112669360
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 115990044

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 115989943) is N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CCc1nn(C)cc1C(CN)N(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is GKTMSAMLDKBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-7-15-14(12-20(6)18-15)16(10-17)21(11-13(2)3)9-8-19(4)5/h12-13,16H,7-11,17H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 295.48 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 115989943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).