1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine

C19H27NO — CID 79907765

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
SMILESNC1(C2CCOC3(CCCCC3)C2)CCc2ccccc21
InChIInChI=1S/C19H27NO/c20-19(12-8-15-6-2-3-7-17(15)19)16-9-13-21-18(14-16)10-4-1-5-11-18/h2-3,6-7,16H,1,4-5,8-14,20H2
InChIKeyKXDRDKZTVDIQSI-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.92
Rot. Bonds1

About 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine

1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine (PubChem CID 79907765) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
PubChem CID79907765
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
SMILESNC1(C2CCOC3(CCCCC3)C2)CCc2ccccc21
InChIInChI=1S/C19H27NO/c20-19(12-8-15-6-2-3-7-17(15)19)16-9-13-21-18(14-16)10-4-1-5-11-18/h2-3,6-7,16H,1,4-5,8-14,20H2
InChIKeyKXDRDKZTVDIQSI-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074
3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
CID 83035071
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 64728874
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79907813
spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
CID 86182652
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79910009

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine (CID 79907765) is 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine is NC1(C2CCOC3(CCCCC3)C2)CCc2ccccc21.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine?
The InChIKey is KXDRDKZTVDIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-19(12-8-15-6-2-3-7-17(15)19)16-9-13-21-18(14-16)10-4-1-5-11-18/h2-3,6-7,16H,1,4-5,8-14,20H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine?
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine has a molecular weight of 285.43 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79907765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).