ethane;3-ethyl-N,1-dimethylazetidin-3-amine

C9H22N2 — CID 164904627

IUPACethane;3-ethyl-N,1-dimethylazetidin-3-amine
SMILESCC.CCC1(NC)CN(C)C1
InChIInChI=1S/C7H16N2.C2H6/c1-4-7(8-2)5-9(3)6-7;1-2/h8H,4-6H2,1-3H3;1-2H3
InChIKeyKSCCOQHKNJKFMH-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds2

About ethane;3-ethyl-N,1-dimethylazetidin-3-amine

ethane;3-ethyl-N,1-dimethylazetidin-3-amine (PubChem CID 164904627) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;3-ethyl-N,1-dimethylazetidin-3-amine.

Molecular Properties

Compound Nameethane;3-ethyl-N,1-dimethylazetidin-3-amine
PubChem CID164904627
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;3-ethyl-N,1-dimethylazetidin-3-amine
SMILESCC.CCC1(NC)CN(C)C1
InChIInChI=1S/C7H16N2.C2H6/c1-4-7(8-2)5-9(3)6-7;1-2/h8H,4-6H2,1-3H3;1-2H3
InChIKeyKSCCOQHKNJKFMH-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-N,1-dimethylazetidin-3-amine?
The IUPAC name of ethane;3-ethyl-N,1-dimethylazetidin-3-amine (CID 164904627) is ethane;3-ethyl-N,1-dimethylazetidin-3-amine.
What is the SMILES notation for ethane;3-ethyl-N,1-dimethylazetidin-3-amine?
The canonical SMILES for ethane;3-ethyl-N,1-dimethylazetidin-3-amine is CC.CCC1(NC)CN(C)C1.
What is the InChIKey of ethane;3-ethyl-N,1-dimethylazetidin-3-amine?
The InChIKey is KSCCOQHKNJKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-4-7(8-2)5-9(3)6-7;1-2/h8H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-N,1-dimethylazetidin-3-amine?
ethane;3-ethyl-N,1-dimethylazetidin-3-amine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N,1-dimethylazetidin-3-amine is sourced from PubChem (CID 164904627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).