1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine

C22H32N2O — CID 57475161

IUPAC1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine
SMILESCCCCC1(N(C)C)CC=C(c2[nH]c3ccc(OC)cc3c2C)CC1
InChIInChI=1S/C22H32N2O/c1-6-7-12-22(24(3)4)13-10-17(11-14-22)21-16(2)19-15-18(25-5)8-9-20(19)23-21/h8-10,15,23H,6-7,11-14H2,1-5H3
InChIKeySWQVSNRMHKVESD-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.54
Rot. Bonds6

About 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine

1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine (PubChem CID 57475161) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine
PubChem CID57475161
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine
SMILESCCCCC1(N(C)C)CC=C(c2[nH]c3ccc(OC)cc3c2C)CC1
InChIInChI=1S/C22H32N2O/c1-6-7-12-22(24(3)4)13-10-17(11-14-22)21-16(2)19-15-18(25-5)8-9-20(19)23-21/h8-10,15,23H,6-7,11-14H2,1-5H3
InChIKeySWQVSNRMHKVESD-UHFFFAOYSA-N
XLogP5.54
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine?
The IUPAC name of 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine (CID 57475161) is 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine is CCCCC1(N(C)C)CC=C(c2[nH]c3ccc(OC)cc3c2C)CC1.
What is the InChIKey of 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine?
The InChIKey is SWQVSNRMHKVESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-6-7-12-22(24(3)4)13-10-17(11-14-22)21-16(2)19-15-18(25-5)8-9-20(19)23-21/h8-10,15,23H,6-7,11-14H2,1-5H3.
What are the key properties of 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine?
1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine has a molecular weight of 340.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 57475161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).