1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol

C12H27NO2 — CID 110181624

IUPAC1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
SMILESCC(C)CCOCC(O)CNC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)6-7-15-9-11(14)8-13-12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyVMMQZTNLQNANQL-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds7

About 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol

1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol (PubChem CID 110181624) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
PubChem CID110181624
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
SMILESCC(C)CCOCC(O)CNC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)6-7-15-9-11(14)8-13-12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyVMMQZTNLQNANQL-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
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

(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457239
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
(E)-but-2-enedioic acid;3-[3-(tert-butylamino)-2-hydroxypropoxy]propanenitrile
CID 110181617
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
CID 110181812
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
2-methyl-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 135302587
1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
CID 110181826
1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride
CID 2834353

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol (CID 110181624) is 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol is CC(C)CCOCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol?
The InChIKey is VMMQZTNLQNANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)6-7-15-9-11(14)8-13-12(3,4)5/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol?
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol is sourced from PubChem (CID 110181624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).