6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide

C14H30N2O2 — CID 107842588

IUPAC6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NCCCCCCO
InChIInChI=1S/C14H30N2O2/c1-14(2,9-10-15)8-7-13(18)16-11-5-3-4-6-12-17/h17H,3-12,15H2,1-2H3,(H,16,18)
InChIKeyFBRLWLFYSDQNNQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.81
Rot. Bonds11

About 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide

6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide (PubChem CID 107842588) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
PubChem CID107842588
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NCCCCCCO
InChIInChI=1S/C14H30N2O2/c1-14(2,9-10-15)8-7-13(18)16-11-5-3-4-6-12-17/h17H,3-12,15H2,1-2H3,(H,16,18)
InChIKeyFBRLWLFYSDQNNQ-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
CID 65291456
6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
CID 106213131
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
N'-[3-[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]-N-(7-hydroxyheptyl)butanediamide
CID 170149149
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
CID 170598419
CID 170598419
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
6-amino-N-(3-cyclohexyloxypropyl)-4,4-dimethylhexanamide
CID 65292212
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
N-dodecyl-4,4-dimethylhexanamide
CID 88894406

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide (CID 107842588) is 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)NCCCCCCO.
What is the InChIKey of 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide?
The InChIKey is FBRLWLFYSDQNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(2,9-10-15)8-7-13(18)16-11-5-3-4-6-12-17/h17H,3-12,15H2,1-2H3,(H,16,18).
What are the key properties of 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide?
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide has a molecular weight of 258.41 g/mol, XLogP of 1.81, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 107842588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).