ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine

C11H22N2 — CID 142345269

IUPACethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine
SMILESCC.CCNC1=CC(C)=CN(C)C1
InChIInChI=1S/C9H16N2.C2H6/c1-4-10-9-5-8(2)6-11(3)7-9;1-2/h5-6,10H,4,7H2,1-3H3;1-2H3
InChIKeyKELBXACNAPFLSV-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.36
Rot. Bonds2

About ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine

ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine (PubChem CID 142345269) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine.

Molecular Properties

Compound Nameethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine
PubChem CID142345269
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine
SMILESCC.CCNC1=CC(C)=CN(C)C1
InChIInChI=1S/C9H16N2.C2H6/c1-4-10-9-5-8(2)6-11(3)7-9;1-2/h5-6,10H,4,7H2,1-3H3;1-2H3
InChIKeyKELBXACNAPFLSV-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine?
The IUPAC name of ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine (CID 142345269) is ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine.
What is the SMILES notation for ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine?
The canonical SMILES for ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine is CC.CCNC1=CC(C)=CN(C)C1.
What is the InChIKey of ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine?
The InChIKey is KELBXACNAPFLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-4-10-9-5-8(2)6-11(3)7-9;1-2/h5-6,10H,4,7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine?
ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1,5-dimethyl-2H-pyridin-3-amine is sourced from PubChem (CID 142345269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).