N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine

C20H43NO2 — CID 146180137

IUPACN-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCC(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C20H43NO2/c1-17(2,3)21-14-13-19(7,8)11-12-20(9,10)23-16-15-22-18(4,5)6/h21H,11-16H2,1-10H3
InChIKeyIOCGENQMXKVKOS-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.18
Rot. Bonds10

About N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine

N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine (PubChem CID 146180137) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine
PubChem CID146180137
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC NameN-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCC(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C20H43NO2/c1-17(2,3)21-14-13-19(7,8)11-12-20(9,10)23-16-15-22-18(4,5)6/h21H,11-16H2,1-10H3
InChIKeyIOCGENQMXKVKOS-UHFFFAOYSA-N
XLogP5.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine
CID 167257608
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
N-tert-butyl-3,3,7,7-tetramethyloctan-1-amine
CID 134314254
N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
CID 118912417
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
CID 103019881
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
CID 155178401
6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
CID 166654405
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
CID 112589746
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine?
The IUPAC name of N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine (CID 146180137) is N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine?
The canonical SMILES for N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine is CC(C)(CCNC(C)(C)C)CCC(C)(C)OCCOC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine?
The InChIKey is IOCGENQMXKVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-17(2,3)21-14-13-19(7,8)11-12-20(9,10)23-16-15-22-18(4,5)6/h21H,11-16H2,1-10H3.
What are the key properties of N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine?
N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine has a molecular weight of 329.57 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine is sourced from PubChem (CID 146180137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).