4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide

C14H26N4O — CID 104619122

IUPAC4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
SMILESCc1cn[nH]c1NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10-9-16-18-13(10)17-12(19)6-5-11(7-8-15)14(2,3)4/h9,11H,5-8,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyNCCVHAUMTSJJAO-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.45
Rot. Bonds6

About 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide

4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide (PubChem CID 104619122) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
PubChem CID104619122
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
SMILESCc1cn[nH]c1NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10-9-16-18-13(10)17-12(19)6-5-11(7-8-15)14(2,3)4/h9,11H,5-8,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyNCCVHAUMTSJJAO-UHFFFAOYSA-N
XLogP2.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619007
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851
3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618937
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282590
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide
CID 104620175
N-(4-methyl-1H-pyrazol-5-yl)-3-pyridin-4-ylpropanamide
CID 112691455
2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618932
4-(2-aminoethyl)-1-(1,4-dimethylpyrazol-5-yl)-5,5-dimethylhexan-1-one
CID 112742456
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide (CID 104619122) is 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide is Cc1cn[nH]c1NC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide?
The InChIKey is NCCVHAUMTSJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10-9-16-18-13(10)17-12(19)6-5-11(7-8-15)14(2,3)4/h9,11H,5-8,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide?
4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide has a molecular weight of 266.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide is sourced from PubChem (CID 104619122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).