N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine

C23H28N2O — CID 3952387

IUPACN,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
SMILESCCN(CC)c1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H28N2O/c1-6-25(7-2)18-13-12-17-14-15-23(26-21(17)16-18)22(3,4)19-10-8-9-11-20(19)24(23)5/h8-16H,6-7H2,1-5H3
InChIKeyMPHHMIODJUJOPC-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.06
Rot. Bonds3

About N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine

N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine (PubChem CID 3952387) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine.

Molecular Properties

Compound NameN,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
PubChem CID3952387
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
SMILESCCN(CC)c1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H28N2O/c1-6-25(7-2)18-13-12-17-14-15-23(26-21(17)16-18)22(3,4)19-10-8-9-11-20(19)24(23)5/h8-16H,6-7H2,1-5H3
InChIKeyMPHHMIODJUJOPC-UHFFFAOYSA-N
XLogP5.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine?
The IUPAC name of N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine (CID 3952387) is N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine.
What is the SMILES notation for N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine?
The canonical SMILES for N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine is CCN(CC)c1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine?
The InChIKey is MPHHMIODJUJOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-6-25(7-2)18-13-12-17-14-15-23(26-21(17)16-18)22(3,4)19-10-8-9-11-20(19)24(23)5/h8-16H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine?
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine has a molecular weight of 348.49 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine is sourced from PubChem (CID 3952387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).