ethane;N-ethyl-2,2-dimethyloxan-4-amine

C11H25NO — CID 177317228

IUPACethane;N-ethyl-2,2-dimethyloxan-4-amine
SMILESCC.CCNC1CCOC(C)(C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-4-10-8-5-6-11-9(2,3)7-8;1-2/h8,10H,4-7H2,1-3H3;1-2H3
InChIKeyQVXMQMBUUHGPQN-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds2

About ethane;N-ethyl-2,2-dimethyloxan-4-amine

ethane;N-ethyl-2,2-dimethyloxan-4-amine (PubChem CID 177317228) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;N-ethyl-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2,2-dimethyloxan-4-amine
PubChem CID177317228
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;N-ethyl-2,2-dimethyloxan-4-amine
SMILESCC.CCNC1CCOC(C)(C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-4-10-8-5-6-11-9(2,3)7-8;1-2/h8,10H,4-7H2,1-3H3;1-2H3
InChIKeyQVXMQMBUUHGPQN-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2-dimethyloxan-4-amine?
The IUPAC name of ethane;N-ethyl-2,2-dimethyloxan-4-amine (CID 177317228) is ethane;N-ethyl-2,2-dimethyloxan-4-amine.
What is the SMILES notation for ethane;N-ethyl-2,2-dimethyloxan-4-amine?
The canonical SMILES for ethane;N-ethyl-2,2-dimethyloxan-4-amine is CC.CCNC1CCOC(C)(C)C1.
What is the InChIKey of ethane;N-ethyl-2,2-dimethyloxan-4-amine?
The InChIKey is QVXMQMBUUHGPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-4-10-8-5-6-11-9(2,3)7-8;1-2/h8,10H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-2,2-dimethyloxan-4-amine?
ethane;N-ethyl-2,2-dimethyloxan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 177317228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).