4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide

C13H28N2O2 — CID 65035783

IUPAC4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
SMILESCC(CO)CNC(=O)CCC(CCN)C(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)12(6-7-14)4-5-13(17)15-8-11(3)9-16/h10-12,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyOGRQRMJJSHKIBD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.13
Rot. Bonds9

About 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide

4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide (PubChem CID 65035783) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
PubChem CID65035783
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
SMILESCC(CO)CNC(=O)CCC(CCN)C(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)12(6-7-14)4-5-13(17)15-8-11(3)9-16/h10-12,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyOGRQRMJJSHKIBD-UHFFFAOYSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-methylhexanamide
CID 107219019
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152864
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450761
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide (CID 65035783) is 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide is CC(CO)CNC(=O)CCC(CCN)C(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide?
The InChIKey is OGRQRMJJSHKIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)12(6-7-14)4-5-13(17)15-8-11(3)9-16/h10-12,16H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide?
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.13, 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-(3-hydroxy-2-methylpropyl)-5-methylhexanamide is sourced from PubChem (CID 65035783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).