N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane

C11H27NO — CID 172569616

IUPACN,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane
SMILESCC.CC.CN(C)CC1CCCO1
InChIInChI=1S/C7H15NO.2C2H6/c1-8(2)6-7-4-3-5-9-7;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyBZPAXKYKXFBJJZ-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.78
Rot. Bonds2

About N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane

N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane (PubChem CID 172569616) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane
PubChem CID172569616
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC NameN,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane
SMILESCC.CC.CN(C)CC1CCCO1
InChIInChI=1S/C7H15NO.2C2H6/c1-8(2)6-7-4-3-5-9-7;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyBZPAXKYKXFBJJZ-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[[(2S,5S)-5-methyloxolan-2-yl]methyl]azanium
CID 10103411
N-(oxolan-2-ylmethyl)butan-1-amine
CID 263177
Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide
CID 40309
(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9990216
[(2R,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 15930132
1-(2-Tetrahydrofurylmethyl)piperidine
CID 566526
Tetrahydrofurfuryl-N,N-dimethylamine
CID 3015510
4-Deoxy-4-fluoromuscarine
CID 195698
[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10442649
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10495976
[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10591832

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane (CID 172569616) is N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane is CC.CC.CN(C)CC1CCCO1.
What is the InChIKey of N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane?
The InChIKey is BZPAXKYKXFBJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2C2H6/c1-8(2)6-7-4-3-5-9-7;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane?
N,N-dimethyl-1-(oxolan-2-yl)methanamine;ethane has a molecular weight of 189.34 g/mol, XLogP of 2.78, 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-(oxolan-2-yl)methanamine;ethane is sourced from PubChem (CID 172569616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).