N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine

C9H19NO — CID 155367091

IUPACN,N-dimethyl-1-(5-methyloxan-2-yl)methanamine
SMILESCC1CCC(CN(C)C)OC1
InChIInChI=1S/C9H19NO/c1-8-4-5-9(11-7-8)6-10(2)3/h8-9H,4-7H2,1-3H3
InChIKeyJUKPCBGUDAJVSA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds2

About N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine

N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine (PubChem CID 155367091) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methyloxan-2-yl)methanamine
PubChem CID155367091
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N-dimethyl-1-(5-methyloxan-2-yl)methanamine
SMILESCC1CCC(CN(C)C)OC1
InChIInChI=1S/C9H19NO/c1-8-4-5-9(11-7-8)6-10(2)3/h8-9H,4-7H2,1-3H3
InChIKeyJUKPCBGUDAJVSA-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
(2R)-2-ethyl-5-methyloxane
CID 146845250
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine
CID 45088569
N,N-dimethyl-1-[(5R)-5-methylmorpholin-2-yl]methanamine
CID 142866340
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
(2R,5S)-5-methyl-2-prop-2-enyloxane
CID 101272075
3-(5-methyloxan-2-yl)propan-1-ol
CID 145047844
5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane
CID 167037210
1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62419753
(5R)-5-methyloxan-2-ol
CID 159421753
(5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane
CID 139495068

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine (CID 155367091) is N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine is CC1CCC(CN(C)C)OC1.
What is the InChIKey of N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine?
The InChIKey is JUKPCBGUDAJVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-4-5-9(11-7-8)6-10(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine?
N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine is sourced from PubChem (CID 155367091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).