1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol

C14H31NO2 — CID 110181812

IUPAC1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
SMILESCC(C)C(OCC(O)CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO2/c1-10(2)13(11(3)4)17-9-12(16)8-15-14(5,6)7/h10-13,15-16H,8-9H2,1-7H3
InChIKeySVQRLUKYTBWGCU-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.43
Rot. Bonds7

About 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol

1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol (PubChem CID 110181812) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
PubChem CID110181812
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
SMILESCC(C)C(OCC(O)CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO2/c1-10(2)13(11(3)4)17-9-12(16)8-15-14(5,6)7/h10-13,15-16H,8-9H2,1-7H3
InChIKeySVQRLUKYTBWGCU-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
1-(tert-butylamino)-3-(2,3,4,5,6-pentafluorophenoxy)propan-2-ol
CID 115476032
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
CID 110181826
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol (CID 110181812) is 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol is CC(C)C(OCC(O)CNC(C)(C)C)C(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol?
The InChIKey is SVQRLUKYTBWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-10(2)13(11(3)4)17-9-12(16)8-15-14(5,6)7/h10-13,15-16H,8-9H2,1-7H3.
What are the key properties of 1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol?
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.43, 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-(2,4-dimethylpentan-3-yloxy)propan-2-ol is sourced from PubChem (CID 110181812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).