ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine

C11H27NO — CID 144998741

IUPACethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
SMILESCC.CC.CNCC1(C)CCOC1
InChIInChI=1S/C7H15NO.2C2H6/c1-7(5-8-2)3-4-9-6-7;2*1-2/h8H,3-6H2,1-2H3;2*1-2H3
InChIKeyFUDRHFXSBUAXSJ-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.68
Rot. Bonds2

About ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine

ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine (PubChem CID 144998741) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
PubChem CID144998741
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
SMILESCC.CC.CNCC1(C)CCOC1
InChIInChI=1S/C7H15NO.2C2H6/c1-7(5-8-2)3-4-9-6-7;2*1-2/h8H,3-6H2,1-2H3;2*1-2H3
InChIKeyFUDRHFXSBUAXSJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
CID 170119117
N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360
(3-methyloxolan-3-yl)methanethiol
CID 155973621
ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine
CID 177149147
2-methyl-N-[(3-methyloxolan-3-yl)methyl]oxolan-3-amine
CID 130626780
4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673614
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166
2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
CID 130915014
4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine
CID 130863677
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
CID 94930520
5-methyl-N-[(3-methyloxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130639825

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine (CID 144998741) is ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine is CC.CC.CNCC1(C)CCOC1.
What is the InChIKey of ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine?
The InChIKey is FUDRHFXSBUAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2C2H6/c1-7(5-8-2)3-4-9-6-7;2*1-2/h8H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine?
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine has a molecular weight of 189.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 144998741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).