ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine

C11H27NO — CID 177228092

IUPACethane;4-methoxy-N-(2-methylpropyl)butan-2-amine
SMILESCC.COCCC(C)NCC(C)C
InChIInChI=1S/C9H21NO.C2H6/c1-8(2)7-10-9(3)5-6-11-4;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeySMZAXGZAAHMGED-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.68
Rot. Bonds6

About ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine

ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine (PubChem CID 177228092) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine.

Molecular Properties

Compound Nameethane;4-methoxy-N-(2-methylpropyl)butan-2-amine
PubChem CID177228092
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;4-methoxy-N-(2-methylpropyl)butan-2-amine
SMILESCC.COCCC(C)NCC(C)C
InChIInChI=1S/C9H21NO.C2H6/c1-8(2)7-10-9(3)5-6-11-4;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeySMZAXGZAAHMGED-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine?
The IUPAC name of ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine (CID 177228092) is ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine.
What is the SMILES notation for ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine?
The canonical SMILES for ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine is CC.COCCC(C)NCC(C)C.
What is the InChIKey of ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine?
The InChIKey is SMZAXGZAAHMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C2H6/c1-8(2)7-10-9(3)5-6-11-4;1-2/h8-10H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine?
ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine has a molecular weight of 189.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine is sourced from PubChem (CID 177228092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).