(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

C18H24N2O — CID 129388129

IUPAC(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESO[C@]12CCCC[C@@H]1CCC[C@H]2Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H24N2O/c21-18-11-2-1-5-13(18)6-3-9-17(18)20-16-8-4-7-15-14(16)10-12-19-15/h4,7-8,10,12-13,17,19-21H,1-3,5-6,9,11H2/t13-,17-,18-/m1/s1
InChIKeyQCPKBXJCYRGDPJ-FSPWUOQZSA-N
MW284.40 g/mol
LogP4.05
Rot. Bonds2

About (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (PubChem CID 129388129) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
PubChem CID129388129
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESO[C@]12CCCC[C@@H]1CCC[C@H]2Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H24N2O/c21-18-11-2-1-5-13(18)6-3-9-17(18)20-16-8-4-7-15-14(16)10-12-19-15/h4,7-8,10,12-13,17,19-21H,1-3,5-6,9,11H2/t13-,17-,18-/m1/s1
InChIKeyQCPKBXJCYRGDPJ-FSPWUOQZSA-N
XLogP4.05
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol with MolForge

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Related Compounds

(4aR,8aR)-4-(2,3-difluoroanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911661
4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 75951124
(4aR,8aR)-4-(2,3,5-trifluoroanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911608
(4S,4aS,8aR)-4-(3-methoxyanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52912005
1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828
(4S,4aS,8aR)-4-(1,3-benzodioxol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911953
8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide
CID 155746665
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365814
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95767235
2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765655
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The IUPAC name of (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (CID 129388129) is (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is O[C@]12CCCC[C@@H]1CCC[C@H]2Nc1cccc2[nH]ccc12.
What is the InChIKey of (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The InChIKey is QCPKBXJCYRGDPJ-FSPWUOQZSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18-11-2-1-5-13(18)6-3-9-17(18)20-16-8-4-7-15-14(16)10-12-19-15/h4,7-8,10,12-13,17,19-21H,1-3,5-6,9,11H2/t13-,17-,18-/m1/s1.
What are the key properties of (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol has a molecular weight of 284.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 129388129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).