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

C9H17ClN2 — CID 162320660

IUPAC1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride
SMILESCCN1C=CC=C(N(C)C)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-4-11-7-5-6-9(8-11)10(2)3;/h5-7H,4,8H2,1-3H3;1H
InChIKeyGUZFHYUJBVGJTA-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.70
Rot. Bonds2

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

1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride (PubChem CID 162320660) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride
PubChem CID162320660
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride
SMILESCCN1C=CC=C(N(C)C)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-4-11-7-5-6-9(8-11)10(2)3;/h5-7H,4,8H2,1-3H3;1H
InChIKeyGUZFHYUJBVGJTA-UHFFFAOYSA-N
XLogP1.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride?
The IUPAC name of 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride (CID 162320660) is 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride?
The canonical SMILES for 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride is CCN1C=CC=C(N(C)C)C1.Cl.
What is the InChIKey of 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride?
The InChIKey is GUZFHYUJBVGJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-4-11-7-5-6-9(8-11)10(2)3;/h5-7H,4,8H2,1-3H3;1H.
What are the key properties of 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride?
1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-2H-pyridin-3-amine;hydrochloride is sourced from PubChem (CID 162320660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).