ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine

C14H31N3O — CID 170616963

IUPACethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine
SMILESCC.CN(C)CCN(C)CC1CC2CNCC1O2
InChIInChI=1S/C12H25N3O.C2H6/c1-14(2)4-5-15(3)9-10-6-11-7-13-8-12(10)16-11;1-2/h10-13H,4-9H2,1-3H3;1-2H3
InChIKeyDEFCKAVNVCLTEK-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.88
Rot. Bonds5

About ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine

ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine (PubChem CID 170616963) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine
PubChem CID170616963
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Nameethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine
SMILESCC.CN(C)CCN(C)CC1CC2CNCC1O2
InChIInChI=1S/C12H25N3O.C2H6/c1-14(2)4-5-15(3)9-10-6-11-7-13-8-12(10)16-11;1-2/h10-13H,4-9H2,1-3H3;1-2H3
InChIKeyDEFCKAVNVCLTEK-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-(piperidin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)ethanamine
CID 56828683
6-Oxa-3-azabicyclo[3.2.1]octane
CID 54594726
8-Fluoro-8-methyl-6-oxa-3-azabicyclo[3.2.1]octane
CID 105428765
N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-1-yl)propan-1-amine
CID 21544540
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-amine
CID 21544557
6-Ethyl-6-methyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 60101511
N-methyl-1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]methanamine
CID 62325448
3-(Piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66394050
2-[2-(5-Methyloxolan-3-yl)piperazin-1-yl]ethanol
CID 69523539
(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane
CID 95241031
(1R,5S)-6-oxa-3-azabicyclo[3.2.1]octane
CID 95241032
3-[2-(Azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 116680208

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine (CID 170616963) is ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine is CC.CN(C)CCN(C)CC1CC2CNCC1O2.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine?
The InChIKey is DEFCKAVNVCLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.C2H6/c1-14(2)4-5-15(3)9-10-6-11-7-13-8-12(10)16-11;1-2/h10-13H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine has a molecular weight of 257.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 170616963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).