5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine

C12H27NO — CID 62455852

IUPAC5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2)13-9-7-6-8-10-14-12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyITAGHJNCHYAEHU-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds7

About 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine

5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine (PubChem CID 62455852) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
PubChem CID62455852
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2)13-9-7-6-8-10-14-12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyITAGHJNCHYAEHU-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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-Isopropylaminotetrahydropyran
CID 23264492
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 146549602
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
4-fluoro-N-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 156303799
3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine
CID 166996621
N-[(2S)-butan-2-yl]-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 173769374
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 173861161
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62443686
N-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66275532
5-(2,2-difluoroethoxy)-N-propan-2-ylpentan-1-amine
CID 82006758

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine (CID 62455852) is 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCOC(C)(C)C.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
The InChIKey is ITAGHJNCHYAEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2)13-9-7-6-8-10-14-12(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62455852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).