1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone

C18H24N2O — CID 145051647

IUPAC1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone
SMILESCC(=O)C1=CC2CC=C(NC3CCCCC3N)C=C2C=C1
InChIInChI=1S/C18H24N2O/c1-12(21)13-6-7-15-11-16(9-8-14(15)10-13)20-18-5-3-2-4-17(18)19/h6-7,9-11,14,17-18,20H,2-5,8,19H2,1H3
InChIKeyWTKHMHWVVKJQSK-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.76
Rot. Bonds3

About 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone

1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone (PubChem CID 145051647) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone
PubChem CID145051647
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone
SMILESCC(=O)C1=CC2CC=C(NC3CCCCC3N)C=C2C=C1
InChIInChI=1S/C18H24N2O/c1-12(21)13-6-7-15-11-16(9-8-14(15)10-13)20-18-5-3-2-4-17(18)19/h6-7,9-11,14,17-18,20H,2-5,8,19H2,1H3
InChIKeyWTKHMHWVVKJQSK-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone (CID 145051647) is 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone is CC(=O)C1=CC2CC=C(NC3CCCCC3N)C=C2C=C1.
What is the InChIKey of 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone?
The InChIKey is WTKHMHWVVKJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(21)13-6-7-15-11-16(9-8-14(15)10-13)20-18-5-3-2-4-17(18)19/h6-7,9-11,14,17-18,20H,2-5,8,19H2,1H3.
What are the key properties of 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone?
1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-aminocyclohexyl)amino]-8,8a-dihydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 145051647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).