5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol

C13H27NO2 — CID 115726077

IUPAC5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNC1CCCOC1
InChIInChI=1S/C13H27NO2/c1-11(2)8-12(5-6-15)9-14-13-4-3-7-16-10-13/h11-15H,3-10H2,1-2H3
InChIKeyLWXIJODIRMXRCV-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds7

About 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol

5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol (PubChem CID 115726077) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol
PubChem CID115726077
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNC1CCCOC1
InChIInChI=1S/C13H27NO2/c1-11(2)8-12(5-6-15)9-14-13-4-3-7-16-10-13/h11-15H,3-10H2,1-2H3
InChIKeyLWXIJODIRMXRCV-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(oxan-3-ylamino)methyl]pentanoic acid
CID 122127774
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380
2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
CID 115708721
N-(2-methylpropyl)-2-(oxan-3-ylamino)acetamide
CID 63363449
3-(oxan-3-ylamino)pentan-1-ol
CID 115723074
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-[3-(2-methylpropylsulfanyl)propyl]oxan-3-amine
CID 115896613
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
5-methyl-3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 115906054

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol?
The IUPAC name of 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol (CID 115726077) is 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol is CC(C)CC(CCO)CNC1CCCOC1.
What is the InChIKey of 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol?
The InChIKey is LWXIJODIRMXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)8-12(5-6-15)9-14-13-4-3-7-16-10-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol?
5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol has a molecular weight of 229.36 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 5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 115726077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).