1-(1-benzylindol-2-yl)-N-tert-butylmethanimine

C20H22N2 — CID 135086203

IUPAC1-(1-benzylindol-2-yl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H22N2/c1-20(2,3)21-14-18-13-17-11-7-8-12-19(17)22(18)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3/b21-14+
InChIKeyAUTSHCYFTFXZNZ-KGENOOAVSA-N
MW290.41 g/mol
LogP4.91
Rot. Bonds3

About 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine

1-(1-benzylindol-2-yl)-N-tert-butylmethanimine (PubChem CID 135086203) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine.

Molecular Properties

Compound Name1-(1-benzylindol-2-yl)-N-tert-butylmethanimine
PubChem CID135086203
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-(1-benzylindol-2-yl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H22N2/c1-20(2,3)21-14-18-13-17-11-7-8-12-19(17)22(18)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3/b21-14+
InChIKeyAUTSHCYFTFXZNZ-KGENOOAVSA-N
XLogP4.91
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde
CID 122702906
1-benzylindol-2-amine
CID 91418343
(1-benzylindol-2-yl)-triethylsilane
CID 90095967
(NE)-N-[(1-prop-2-ynylindol-2-yl)methylidene]hydroxylamine
CID 162405790
2-ethenyl-1-(pyridin-3-ylmethyl)indole
CID 138503201
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
2-[(1-benzyl-5-phenylmethoxyindol-2-yl)methylideneamino]oxyacetic acid
CID 91403560
1-benzyl-N,N-dipropylindole-2-carboxamide
CID 69461033
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
3-(1-benzylindol-2-yl)propan-1-amine
CID 115107392
2-chloro-1-[(4-ethylphenyl)methyl]indole
CID 90911946

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine?
The IUPAC name of 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine (CID 135086203) is 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine.
What is the SMILES notation for 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine?
The canonical SMILES for 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine is CC(C)(C)/N=C/c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine?
The InChIKey is AUTSHCYFTFXZNZ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N2/c1-20(2,3)21-14-18-13-17-11-7-8-12-19(17)22(18)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3/b21-14+.
What are the key properties of 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine?
1-(1-benzylindol-2-yl)-N-tert-butylmethanimine has a molecular weight of 290.41 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-2-yl)-N-tert-butylmethanimine is sourced from PubChem (CID 135086203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).