4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide

C14H30N2O2 — CID 83177791

IUPAC4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
SMILESCC(CCO)NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-11(8-10-17)16-13(18)6-5-12(7-9-15)14(2,3)4/h11-12,17H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyLVIGMYGCWYPHMM-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.66
Rot. Bonds8

About 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide (PubChem CID 83177791) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
PubChem CID83177791
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
SMILESCC(CCO)NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-11(8-10-17)16-13(18)6-5-12(7-9-15)14(2,3)4/h11-12,17H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyLVIGMYGCWYPHMM-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
CID 106188734
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575
2-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]-3-methoxypropanoic acid
CID 81078363
4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
CID 82722451
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282590
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
CID 115283442
4-(2-aminoethyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-methylhexanamide
CID 107219019
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
4-amino-N-(5,5-dimethylhexan-2-yl)pentanamide;hydrochloride
CID 120563103

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide (CID 83177791) is 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide is CC(CCO)NC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide?
The InChIKey is LVIGMYGCWYPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11(8-10-17)16-13(18)6-5-12(7-9-15)14(2,3)4/h11-12,17H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide has a molecular weight of 258.41 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide is sourced from PubChem (CID 83177791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).