2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol

C12H27NO2 — CID 102988227

IUPAC2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
SMILESCCCC(C)OCCCCC(C)(N)CO
InChIInChI=1S/C12H27NO2/c1-4-7-11(2)15-9-6-5-8-12(3,13)10-14/h11,14H,4-10,13H2,1-3H3
InChIKeyMQCFSXVDXOKMSH-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.07
Rot. Bonds9

About 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol

2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol (PubChem CID 102988227) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
PubChem CID102988227
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
SMILESCCCC(C)OCCCCC(C)(N)CO
InChIInChI=1S/C12H27NO2/c1-4-7-11(2)15-9-6-5-8-12(3,13)10-14/h11,14H,4-10,13H2,1-3H3
InChIKeyMQCFSXVDXOKMSH-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
2,2-dimethyl-5-pentan-2-yloxypentan-1-amine
CID 102980855
2-amino-2-methylhexadecan-1-ol
CID 87201246
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
CID 103286028
2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylbutan-1-ol
CID 103491080
2,2-dimethyl-5-pentan-2-yloxypentanimidamide
CID 102982171
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-amino-5-butoxy-2-methylpentan-1-ol
CID 64807302
2-amino-2-methyl-5-(2-methylbutan-2-yloxy)pentan-1-ol
CID 64802128

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol (CID 102988227) is 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol is CCCC(C)OCCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol?
The InChIKey is MQCFSXVDXOKMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-7-11(2)15-9-6-5-8-12(3,13)10-14/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol?
2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol is sourced from PubChem (CID 102988227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).