1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol

C14H29NO2 — CID 106284664

IUPAC1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C14H29NO2/c1-5-11(6-2)13(16)10-15-12-7-8-17-14(3,4)9-12/h11-13,15-16H,5-10H2,1-4H3
InChIKeyNROOINBCEBKZQX-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds6

About 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol

1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol (PubChem CID 106284664) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol
PubChem CID106284664
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C14H29NO2/c1-5-11(6-2)13(16)10-15-12-7-8-17-14(3,4)9-12/h11-13,15-16H,5-10H2,1-4H3
InChIKeyNROOINBCEBKZQX-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106285723
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
1-[(2,2-dimethyloxan-4-yl)amino]-3-phenoxypropan-2-ol
CID 13202185
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 114472487
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095
1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
CID 83033246
2-[(2,2-dimethyloxan-4-yl)amino]-N-ethyl-N-methylacetamide
CID 83033158
5-[(2,2-dimethyloxan-4-yl)amino]-2-methylpentan-1-ol
CID 106158085
2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 83033234
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol (CID 106284664) is 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC1CCOC(C)(C)C1.
What is the InChIKey of 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol?
The InChIKey is NROOINBCEBKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-11(6-2)13(16)10-15-12-7-8-17-14(3,4)9-12/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol?
1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).