1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine

C26H34N2O — CID 101403945

IUPAC1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(C)(C)C)cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C26H34N2O/c1-24(2,3)20-15-18-13-14-26(29-23(18)19(16-20)17-27(6)7)25(4,5)21-11-9-10-12-22(21)28(26)8/h9-16H,17H2,1-8H3
InChIKeyZPKYEYKLQLJHJX-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.58
Rot. Bonds2

About 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine

1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine (PubChem CID 101403945) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine
PubChem CID101403945
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(C)(C)C)cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C26H34N2O/c1-24(2,3)20-15-18-13-14-26(29-23(18)19(16-20)17-27(6)7)25(4,5)21-11-9-10-12-22(21)28(26)8/h9-16H,17H2,1-8H3
InChIKeyZPKYEYKLQLJHJX-UHFFFAOYSA-N
XLogP5.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine with MolForge

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Related Compounds

8-(iodomethyl)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 11259752
(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 139206872
(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
8-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 5182854
(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
CID 1100892
[(2R)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-8-yl]methyl 2-methylprop-2-enoate
CID 7327401
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
CID 170091928
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine (CID 101403945) is 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine is CN(C)Cc1cc(C(C)(C)C)cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine?
The InChIKey is ZPKYEYKLQLJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-24(2,3)20-15-18-13-14-26(29-23(18)19(16-20)17-27(6)7)25(4,5)21-11-9-10-12-22(21)28(26)8/h9-16H,17H2,1-8H3.
What are the key properties of 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine?
1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine has a molecular weight of 390.57 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 101403945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).