5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine

C14H31NO — CID 164817550

IUPAC5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
SMILESCC(C)(C)CCCCNCCOC(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2,3)9-7-8-10-15-11-12-16-14(4,5)6/h15H,7-12H2,1-6H3
InChIKeyWFNROGCBHLTJKZ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds7

About 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine

5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine (PubChem CID 164817550) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
PubChem CID164817550
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
SMILESCC(C)(C)CCCCNCCOC(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2,3)9-7-8-10-15-11-12-16-14(4,5)6/h15H,7-12H2,1-6H3
InChIKeyWFNROGCBHLTJKZ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
The IUPAC name of 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine (CID 164817550) is 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
The canonical SMILES for 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine is CC(C)(C)CCCCNCCOC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
The InChIKey is WFNROGCBHLTJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-13(2,3)9-7-8-10-15-11-12-16-14(4,5)6/h15H,7-12H2,1-6H3.
What are the key properties of 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine is sourced from PubChem (CID 164817550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).