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

C14H26N4O — CID 82872970

IUPAC4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
SMILESCC(C)C(CCN)CCC(=O)NCc1ccn(C)n1
InChIInChI=1S/C14H26N4O/c1-11(2)12(6-8-15)4-5-14(19)16-10-13-7-9-18(3)17-13/h7,9,11-12H,4-6,8,10,15H2,1-3H3,(H,16,19)
InChIKeyPPRWDOOUVYMGFZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.44
Rot. Bonds8

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

4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide (PubChem CID 82872970) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
PubChem CID82872970
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
SMILESCC(C)C(CCN)CCC(=O)NCc1ccn(C)n1
InChIInChI=1S/C14H26N4O/c1-11(2)12(6-8-15)4-5-14(19)16-10-13-7-9-18(3)17-13/h7,9,11-12H,4-6,8,10,15H2,1-3H3,(H,16,19)
InChIKeyPPRWDOOUVYMGFZ-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106105094
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
CID 82882413
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684
2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
CID 82881520

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide (CID 82872970) is 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide is CC(C)C(CCN)CCC(=O)NCc1ccn(C)n1.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
The InChIKey is PPRWDOOUVYMGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)12(6-8-15)4-5-14(19)16-10-13-7-9-18(3)17-13/h7,9,11-12H,4-6,8,10,15H2,1-3H3,(H,16,19).
What are the key properties of 4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide has a molecular weight of 266.39 g/mol, XLogP of 1.44, 8 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-[(1-methylpyrazol-3-yl)methyl]hexanamide is sourced from PubChem (CID 82872970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).