(5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium

C8H16N3+ — CID 149065720

IUPAC(5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
SMILES[H]/N=C(\C)C1=C([NH2+]C)CCNC1
InChIInChI=1S/C8H15N3/c1-6(9)7-5-11-4-3-8(7)10-2/h9-11H,3-5H2,1-2H3/p+1/b9-6+
InChIKeyQMSKJWKODPCSSB-RMKNXTFCSA-O
MW154.24 g/mol
LogP-0.53
Rot. Bonds2

About (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium

(5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium (PubChem CID 149065720) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium.

Molecular Properties

Compound Name(5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
PubChem CID149065720
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name(5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
SMILES[H]/N=C(\C)C1=C([NH2+]C)CCNC1
InChIInChI=1S/C8H15N3/c1-6(9)7-5-11-4-3-8(7)10-2/h9-11H,3-5H2,1-2H3/p+1/b9-6+
InChIKeyQMSKJWKODPCSSB-RMKNXTFCSA-O
XLogP-0.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(C,N-dimethylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 89510160
1-(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 123958867
N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine;ethane
CID 123971749
(Z)-3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613749
3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613750
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 134172196
N,4,5-trimethyl-1,2-dihydropyrrol-3-imine
CID 139338572
ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358571
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine
CID 142358650
N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine
CID 143722639
(1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine
CID 144755915

Frequently Asked Questions

What is the IUPAC name of (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium?
The IUPAC name of (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium (CID 149065720) is (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium.
What is the SMILES notation for (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium?
The canonical SMILES for (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium is [H]/N=C(\C)C1=C([NH2+]C)CCNC1.
What is the InChIKey of (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium?
The InChIKey is QMSKJWKODPCSSB-RMKNXTFCSA-O. The full InChI is InChI=1S/C8H15N3/c1-6(9)7-5-11-4-3-8(7)10-2/h9-11H,3-5H2,1-2H3/p+1/b9-6+.
What are the key properties of (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium?
(5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium has a molecular weight of 154.24 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium is sourced from PubChem (CID 149065720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).