4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide

C17H36N2O — CID 115325284

IUPAC4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
SMILESCC(C)CCCCNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-14(2)8-6-7-13-19-16(20)10-9-15(11-12-18)17(3,4)5/h14-15H,6-13,18H2,1-5H3,(H,19,20)
InChIKeyZNAKNDRSAAETCB-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.72
Rot. Bonds10

About 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide

4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide (PubChem CID 115325284) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
PubChem CID115325284
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
SMILESCC(C)CCCCNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-14(2)8-6-7-13-19-16(20)10-9-15(11-12-18)17(3,4)5/h14-15H,6-13,18H2,1-5H3,(H,19,20)
InChIKeyZNAKNDRSAAETCB-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.72
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-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
CID 106247393
4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
CID 82722451
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine
CID 171639588
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791
4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106047856
4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175448
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide (CID 115325284) is 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide is CC(C)CCCCNC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide?
The InChIKey is ZNAKNDRSAAETCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-14(2)8-6-7-13-19-16(20)10-9-15(11-12-18)17(3,4)5/h14-15H,6-13,18H2,1-5H3,(H,19,20).
What are the key properties of 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide?
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide has a molecular weight of 284.49 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide is sourced from PubChem (CID 115325284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).