1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C18H30N2 — CID 64743500

IUPAC1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1CCC(n2ccc3c2CC(C)(C)CC3N)CC1C
InChIInChI=1S/C18H30N2/c1-12-5-6-14(9-13(12)2)20-8-7-15-16(19)10-18(3,4)11-17(15)20/h7-8,12-14,16H,5-6,9-11,19H2,1-4H3
InChIKeyXUEJIFSFHCRCQU-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.46
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 64743500) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID64743500
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1CCC(n2ccc3c2CC(C)(C)CC3N)CC1C
InChIInChI=1S/C18H30N2/c1-12-5-6-14(9-13(12)2)20-8-7-15-16(19)10-18(3,4)11-17(15)20/h7-8,12-14,16H,5-6,9-11,19H2,1-4H3
InChIKeyXUEJIFSFHCRCQU-UHFFFAOYSA-N
XLogP4.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 64743500) is 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CC1CCC(n2ccc3c2CC(C)(C)CC3N)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is XUEJIFSFHCRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-12-5-6-14(9-13(12)2)20-8-7-15-16(19)10-18(3,4)11-17(15)20/h7-8,12-14,16H,5-6,9-11,19H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 274.45 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 64743500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).