2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine

C11H23NO — CID 79365304

IUPAC2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCOC1C
InChIInChI=1S/C11H23NO/c1-9(2)7-12-8-11-5-4-6-13-10(11)3/h9-12H,4-8H2,1-3H3
InChIKeyGVSRVEVTNFBXKW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds4

About 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine

2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine (PubChem CID 79365304) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
PubChem CID79365304
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCOC1C
InChIInChI=1S/C11H23NO/c1-9(2)7-12-8-11-5-4-6-13-10(11)3/h9-12H,4-8H2,1-3H3
InChIKeyGVSRVEVTNFBXKW-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
2-methyl-N-[[2-(2-methylpropyl)oxan-3-yl]methyl]propan-1-amine
CID 79365214
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364846
2-methyl-3-(2-methylpropyl)oxane
CID 67691431
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
CID 4712138
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
CID 114223968
2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 114201269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine (CID 79365304) is 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine is CC(C)CNCC1CCCOC1C.
What is the InChIKey of 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine?
The InChIKey is GVSRVEVTNFBXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-12-8-11-5-4-6-13-10(11)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine?
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79365304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).