3-methyl-2-(oxepan-4-ylamino)butan-1-ol

C11H23NO2 — CID 79254168

IUPAC3-methyl-2-(oxepan-4-ylamino)butan-1-ol
SMILESCC(C)C(CO)NC1CCCOCC1
InChIInChI=1S/C11H23NO2/c1-9(2)11(8-13)12-10-4-3-6-14-7-5-10/h9-13H,3-8H2,1-2H3
InChIKeyVDUYMCPOGLKISD-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds4

About 3-methyl-2-(oxepan-4-ylamino)butan-1-ol

3-methyl-2-(oxepan-4-ylamino)butan-1-ol (PubChem CID 79254168) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-2-(oxepan-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(oxepan-4-ylamino)butan-1-ol
PubChem CID79254168
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methyl-2-(oxepan-4-ylamino)butan-1-ol
SMILESCC(C)C(CO)NC1CCCOCC1
InChIInChI=1S/C11H23NO2/c1-9(2)11(8-13)12-10-4-3-6-14-7-5-10/h9-13H,3-8H2,1-2H3
InChIKeyVDUYMCPOGLKISD-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
3-methyl-2-(oxolan-3-ylamino)butan-1-ol
CID 79254853
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
CID 79903083
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
2-[(2,2-dimethyloxan-4-yl)amino]-3-methylbutan-1-ol
CID 79254749
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
N-(1-methoxy-4-methylpentan-3-yl)oxan-4-amine
CID 115710262
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
N-pent-4-en-2-yloxepan-4-amine
CID 115890446

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxepan-4-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-2-(oxepan-4-ylamino)butan-1-ol (CID 79254168) is 3-methyl-2-(oxepan-4-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(oxepan-4-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-2-(oxepan-4-ylamino)butan-1-ol is CC(C)C(CO)NC1CCCOCC1.
What is the InChIKey of 3-methyl-2-(oxepan-4-ylamino)butan-1-ol?
The InChIKey is VDUYMCPOGLKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)11(8-13)12-10-4-3-6-14-7-5-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 3-methyl-2-(oxepan-4-ylamino)butan-1-ol?
3-methyl-2-(oxepan-4-ylamino)butan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxepan-4-ylamino)butan-1-ol is sourced from PubChem (CID 79254168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).