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

C18H24N2O — CID 75951124

IUPAC4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESOC12CCCCC1CCCC2Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H24N2O/c21-18-10-2-1-4-14(18)5-3-6-17(18)20-15-7-8-16-13(12-15)9-11-19-16/h7-9,11-12,14,17,19-21H,1-6,10H2
InChIKeyNMTHLWOMLNWQDS-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.05
Rot. Bonds2

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

4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (PubChem CID 75951124) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
PubChem CID75951124
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESOC12CCCCC1CCCC2Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H24N2O/c21-18-10-2-1-4-14(18)5-3-6-17(18)20-15-7-8-16-13(12-15)9-11-19-16/h7-9,11-12,14,17,19-21H,1-6,10H2
InChIKeyNMTHLWOMLNWQDS-UHFFFAOYSA-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 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol with MolForge

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Related Compounds

(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 129388129
(4S,4aS,8aR)-4-(1,3-benzodioxol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911953
N-(2,6-dimethylcyclohexyl)-1H-indol-5-amine
CID 43108999
(4S,4aS,8aR)-4-(3-methoxyanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52912005
4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 123409629
N-(2,3-dimethylcyclohexyl)-1H-indol-5-amine
CID 64775773
N-(azepan-4-yl)-1H-indol-5-amine
CID 113361399
(4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 129388327
N-cyclohexyl-1H-indol-6-amine
CID 139269794
(4aR,8aR)-4-(2,4,6-trifluoroanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911605
N-(2-methoxycyclohexyl)-1H-indol-5-amine
CID 43768693
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 102911435

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The IUPAC name of 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (CID 75951124) is 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The canonical SMILES for 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is OC12CCCCC1CCCC2Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The InChIKey is NMTHLWOMLNWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18-10-2-1-4-14(18)5-3-6-17(18)20-15-7-8-16-13(12-15)9-11-19-16/h7-9,11-12,14,17,19-21H,1-6,10H2.
What are the key properties of 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
4-(1H-indol-5-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 4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 75951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).