4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide

C15H28N4O — CID 106105094

IUPAC4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
SMILESCC(C)C(CCN)CCC(=O)NCCc1ccn(C)n1
InChIInChI=1S/C15H28N4O/c1-12(2)13(6-9-16)4-5-15(20)17-10-7-14-8-11-19(3)18-14/h8,11-13H,4-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyRPHAQFGMWQIRSA-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.48
Rot. Bonds9

About 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide

4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide (PubChem CID 106105094) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
PubChem CID106105094
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
SMILESCC(C)C(CCN)CCC(=O)NCCc1ccn(C)n1
InChIInChI=1S/C15H28N4O/c1-12(2)13(6-9-16)4-5-15(20)17-10-7-14-8-11-19(3)18-14/h8,11-13H,4-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyRPHAQFGMWQIRSA-UHFFFAOYSA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
CID 82872970
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
(2S)-2-amino-3-methyl-N-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 106105106
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106104964
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105007

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide (CID 106105094) is 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide is CC(C)C(CCN)CCC(=O)NCCc1ccn(C)n1.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
The InChIKey is RPHAQFGMWQIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)13(6-9-16)4-5-15(20)17-10-7-14-8-11-19(3)18-14/h8,11-13H,4-7,9-10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide has a molecular weight of 280.42 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 106105094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).