1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine

C8H17N2+ — CID 153356354

IUPAC1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine
SMILESCC1=C(N)[N+](C)(C)CCC1
InChIInChI=1S/C8H17N2/c1-7-5-4-6-10(2,3)8(7)9/h4-6,9H2,1-3H3/q+1
InChIKeyWSAZPLXVRSILRK-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.05
Rot. Bonds

About 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine

1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine (PubChem CID 153356354) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine.

Molecular Properties

Compound Name1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine
PubChem CID153356354
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine
SMILESCC1=C(N)[N+](C)(C)CCC1
InChIInChI=1S/C8H17N2/c1-7-5-4-6-10(2,3)8(7)9/h4-6,9H2,1-3H3/q+1
InChIKeyWSAZPLXVRSILRK-UHFFFAOYSA-N
XLogP1.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 21721294
5-[(Dimethylamino)methyl]-1,2,3,4-tetrahydropyridin-6-amine
CID 117805529
(4R)-N,1,4,5-tetramethyl-N-propyl-3,4-dihydro-2H-pyridin-6-amine
CID 142050753
3-Ethyl-1,3,5-trimethyl-2,4-dihydropyridin-6-amine
CID 142270414
ethane;5-ethyl-N,N,1-trimethyl-3,4-dihydro-2H-pyridin-6-amine
CID 143831960
N,N,1,4,5-pentamethyl-3,4-dihydro-2H-pyridin-6-amine
CID 149766250
1,5-dimethyl-3,4-dihydro-2H-pyridin-6-amine
CID 155204876
5-N,5-N,2-trimethylpent-1-ene-1,1,5-triamine
CID 175198400
1-cyclohexylidene-N',N'-diethylmethanediamine
CID 25249618
5-ethyl-N,N,1-trimethyl-3,4-dihydro-2H-pyridin-6-amine
CID 143831961

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine?
The IUPAC name of 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine (CID 153356354) is 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine.
What is the SMILES notation for 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine?
The canonical SMILES for 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine is CC1=C(N)[N+](C)(C)CCC1.
What is the InChIKey of 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine?
The InChIKey is WSAZPLXVRSILRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-7-5-4-6-10(2,3)8(7)9/h4-6,9H2,1-3H3/q+1.
What are the key properties of 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine?
1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine has a molecular weight of 141.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trimethyl-3,4-dihydro-2H-pyridin-1-ium-6-amine is sourced from PubChem (CID 153356354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).