6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide

C17H36N2O — CID 65292309

IUPAC6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
SMILESCC(C)CCCCCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C17H36N2O/c1-15(2)9-7-5-6-8-14-19-16(20)10-11-17(3,4)12-13-18/h15H,5-14,18H2,1-4H3,(H,19,20)
InChIKeyQBKWCSQFUCJXNC-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.86
Rot. Bonds12

About 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide

6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide (PubChem CID 65292309) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
PubChem CID65292309
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
SMILESCC(C)CCCCCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C17H36N2O/c1-15(2)9-7-5-6-8-14-19-16(20)10-11-17(3,4)12-13-18/h15H,5-14,18H2,1-4H3,(H,19,20)
InChIKeyQBKWCSQFUCJXNC-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
CID 65291456
6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
CID 106213131
1-amino-3,3,10-trimethylundecan-6-one
CID 116574855
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine
CID 171639588
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide (CID 65292309) is 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide is CC(C)CCCCCCNC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide?
The InChIKey is QBKWCSQFUCJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-15(2)9-7-5-6-8-14-19-16(20)10-11-17(3,4)12-13-18/h15H,5-14,18H2,1-4H3,(H,19,20).
What are the key properties of 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide?
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide has a molecular weight of 284.49 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide is sourced from PubChem (CID 65292309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).