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

C18H30N2 — CID 63466459

IUPAC1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCC1CCC(n2ccc3c2CC(C)(C)CC3N)CC1
InChIInChI=1S/C18H30N2/c1-4-13-5-7-14(8-6-13)20-10-9-15-16(19)11-18(2,3)12-17(15)20/h9-10,13-14,16H,4-8,11-12,19H2,1-3H3
InChIKeyNSICRWVDAKGUBW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.60
Rot. Bonds2

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

1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63466459) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63466459
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCC1CCC(n2ccc3c2CC(C)(C)CC3N)CC1
InChIInChI=1S/C18H30N2/c1-4-13-5-7-14(8-6-13)20-10-9-15-16(19)11-18(2,3)12-17(15)20/h9-10,13-14,16H,4-8,11-12,19H2,1-3H3
InChIKeyNSICRWVDAKGUBW-UHFFFAOYSA-N
XLogP4.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 63466459) is 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CCC1CCC(n2ccc3c2CC(C)(C)CC3N)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is NSICRWVDAKGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-13-5-7-14(8-6-13)20-10-9-15-16(19)11-18(2,3)12-17(15)20/h9-10,13-14,16H,4-8,11-12,19H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 274.45 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63466459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).