2-[methyl(oxan-3-yl)amino]propan-1-ol

C9H19NO2 — CID 103857883

IUPAC2-[methyl(oxan-3-yl)amino]propan-1-ol
SMILESCC(CO)N(C)C1CCCOC1
InChIInChI=1S/C9H19NO2/c1-8(6-11)10(2)9-4-3-5-12-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyBSMRFTWIENDIEC-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds3

About 2-[methyl(oxan-3-yl)amino]propan-1-ol

2-[methyl(oxan-3-yl)amino]propan-1-ol (PubChem CID 103857883) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[methyl(oxan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl(oxan-3-yl)amino]propan-1-ol
PubChem CID103857883
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[methyl(oxan-3-yl)amino]propan-1-ol
SMILESCC(CO)N(C)C1CCCOC1
InChIInChI=1S/C9H19NO2/c1-8(6-11)10(2)9-4-3-5-12-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyBSMRFTWIENDIEC-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82753910
3-[methyl(oxolan-3-yl)amino]butanethioamide
CID 63557973
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795
5-[methyl(oxan-3-yl)amino]pentan-1-ol
CID 107204072
N-methyl-N-[(Z)-propylideneamino]oxan-3-amine
CID 126558870
4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
CID 110838535
2-[methyl(oxan-3-yl)amino]ethanethioamide
CID 107134690
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-3-yl)amino]propan-1-ol?
The IUPAC name of 2-[methyl(oxan-3-yl)amino]propan-1-ol (CID 103857883) is 2-[methyl(oxan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl(oxan-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl(oxan-3-yl)amino]propan-1-ol is CC(CO)N(C)C1CCCOC1.
What is the InChIKey of 2-[methyl(oxan-3-yl)amino]propan-1-ol?
The InChIKey is BSMRFTWIENDIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(6-11)10(2)9-4-3-5-12-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-[methyl(oxan-3-yl)amino]propan-1-ol?
2-[methyl(oxan-3-yl)amino]propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 103857883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).