(E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine

C18H25N3 — CID 135830070

IUPAC(E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine
SMILESCCc1cccc2c(/C=N/N3[C@@H](C)CCC[C@@H]3C)c[nH]c12
InChIInChI=1S/C18H25N3/c1-4-15-9-6-10-17-16(11-19-18(15)17)12-20-21-13(2)7-5-8-14(21)3/h6,9-14,19H,4-5,7-8H2,1-3H3/b20-12+/t13-,14-/m0/s1
InChIKeyMZFQANXTRDCXAK-BXNZEIDJSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds3

About (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine

(E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine (PubChem CID 135830070) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine
PubChem CID135830070
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine
SMILESCCc1cccc2c(/C=N/N3[C@@H](C)CCC[C@@H]3C)c[nH]c12
InChIInChI=1S/C18H25N3/c1-4-15-9-6-10-17-16(11-19-18(15)17)12-20-21-13(2)7-5-8-14(21)3/h6,9-14,19H,4-5,7-8H2,1-3H3/b20-12+/t13-,14-/m0/s1
InChIKeyMZFQANXTRDCXAK-BXNZEIDJSA-N
XLogP4.33
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
CID 2550408
(E)-3-(7-ethyl-1H-indol-3-yl)prop-2-enoic acid
CID 76847871
(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
CID 135538416
9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 52940742
4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 135734076
4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 2710523
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4283483
7-ethyl-3-methyl-1H-indole
CID 13271010
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
3-[(2,6-dimethylphenoxy)methyl]-4-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 135767762
1-chloro-4-(7-ethyl-1H-indol-3-yl)but-3-en-2-one
CID 77040148

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine?
The IUPAC name of (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine (CID 135830070) is (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine.
What is the SMILES notation for (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine?
The canonical SMILES for (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine is CCc1cccc2c(/C=N/N3[C@@H](C)CCC[C@@H]3C)c[nH]c12.
What is the InChIKey of (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine?
The InChIKey is MZFQANXTRDCXAK-BXNZEIDJSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-15-9-6-10-17-16(11-19-18(15)17)12-20-21-13(2)7-5-8-14(21)3/h6,9-14,19H,4-5,7-8H2,1-3H3/b20-12+/t13-,14-/m0/s1.
What are the key properties of (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine?
(E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine has a molecular weight of 283.42 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine is sourced from PubChem (CID 135830070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).