4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide

C16H34N2O2 — CID 107152864

IUPAC4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
SMILESCC(C)C(CCN)CCC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-12(2)13(8-9-17)6-7-15(20)18-11-14(19)10-16(3,4)5/h12-14,19H,6-11,17H2,1-5H3,(H,18,20)
InChIKeyYGYOTMAPNSKYOO-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.30
Rot. Bonds9

About 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide

4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide (PubChem CID 107152864) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
PubChem CID107152864
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
SMILESCC(C)C(CCN)CCC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-12(2)13(8-9-17)6-7-15(20)18-11-14(19)10-16(3,4)5/h12-14,19H,6-11,17H2,1-5H3,(H,18,20)
InChIKeyYGYOTMAPNSKYOO-UHFFFAOYSA-N
XLogP2.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
CID 107153016
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152806
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
4-(2-aminoethyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-methylhexanamide
CID 107219019
4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011723
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450761
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide
CID 106176028
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide (CID 107152864) is 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide is CC(C)C(CCN)CCC(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
The InChIKey is YGYOTMAPNSKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-12(2)13(8-9-17)6-7-15(20)18-11-14(19)10-16(3,4)5/h12-14,19H,6-11,17H2,1-5H3,(H,18,20).
What are the key properties of 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide has a molecular weight of 286.46 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide is sourced from PubChem (CID 107152864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).