N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine

C16H35NO — CID 103074508

IUPACN-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
SMILESCCCCCCC(C)OCC(C)CNC(C)(C)C
InChIInChI=1S/C16H35NO/c1-7-8-9-10-11-15(3)18-13-14(2)12-17-16(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyVMDCEKORORNEKU-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.39
Rot. Bonds10

About N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine

N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine (PubChem CID 103074508) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
PubChem CID103074508
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
SMILESCCCCCCC(C)OCC(C)CNC(C)(C)C
InChIInChI=1S/C16H35NO/c1-7-8-9-10-11-15(3)18-13-14(2)12-17-16(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyVMDCEKORORNEKU-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.39
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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Related Compounds

2-(3-methoxy-2-methylpropoxy)undecane
CID 89261106
1-octan-2-yloxypropan-2-amine
CID 43127432
2-ethoxytridecane
CID 54143367
N,2-ditert-butylundecan-1-amine
CID 83138846
N-tert-butyl-2-ethyldecan-1-amine
CID 55196031
1-(tert-butylamino)octan-2-ol
CID 62774713
N,2-ditert-butyldodecan-1-amine
CID 83141382
1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 43166238
N-tert-butyl-3-methyl-2-octoxybutan-1-amine
CID 55195436
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine (CID 103074508) is N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine is CCCCCCC(C)OCC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine?
The InChIKey is VMDCEKORORNEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-7-8-9-10-11-15(3)18-13-14(2)12-17-16(4,5)6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine?
N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine is sourced from PubChem (CID 103074508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).