ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine

C11H26N2 — CID 163376293

IUPACethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine
SMILESCC.CC(C)CCN(C)C1CNC1
InChIInChI=1S/C9H20N2.C2H6/c1-8(2)4-5-11(3)9-6-10-7-9;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyANABUUAMRUORHH-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds4

About ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine

ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine (PubChem CID 163376293) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine
PubChem CID163376293
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine
SMILESCC.CC(C)CCN(C)C1CNC1
InChIInChI=1S/C9H20N2.C2H6/c1-8(2)4-5-11(3)9-6-10-7-9;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyANABUUAMRUORHH-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine?
The IUPAC name of ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine (CID 163376293) is ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine.
What is the SMILES notation for ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine?
The canonical SMILES for ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine is CC.CC(C)CCN(C)C1CNC1.
What is the InChIKey of ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine?
The InChIKey is ANABUUAMRUORHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2H6/c1-8(2)4-5-11(3)9-6-10-7-9;1-2/h8-10H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine?
ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine is sourced from PubChem (CID 163376293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).