N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

C26H32N2O — CID 11956286

IUPACN,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCc1ccc2[nH]c3c(c2c1)CC(C)OC31CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C26H32N2O/c1-18-10-11-23-21(16-18)22-17-19(2)29-26(24(22)27-23)14-12-25(13-15-26,28(3)4)20-8-6-5-7-9-20/h5-11,16,19,27H,12-15,17H2,1-4H3
InChIKeyFJCNUXXAHZVGIR-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.66
Rot. Bonds2

About N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine (PubChem CID 11956286) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
PubChem CID11956286
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCc1ccc2[nH]c3c(c2c1)CC(C)OC31CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C26H32N2O/c1-18-10-11-23-21(16-18)22-17-19(2)29-26(24(22)27-23)14-12-25(13-15-26,28(3)4)20-8-6-5-7-9-20/h5-11,16,19,27H,12-15,17H2,1-4H3
InChIKeyFJCNUXXAHZVGIR-UHFFFAOYSA-N
XLogP5.66
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The IUPAC name of N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine (CID 11956286) is N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The canonical SMILES for N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine is Cc1ccc2[nH]c3c(c2c1)CC(C)OC31CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The InChIKey is FJCNUXXAHZVGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-18-10-11-23-21(16-18)22-17-19(2)29-26(24(22)27-23)14-12-25(13-15-26,28(3)4)20-8-6-5-7-9-20/h5-11,16,19,27H,12-15,17H2,1-4H3.
What are the key properties of N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine has a molecular weight of 388.56 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,6-tetramethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 11956286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).