3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine

C17H31NO — CID 102901303

IUPAC3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-2-11-18-15-6-5-14(12-15)13-16-7-10-17(19-16)8-3-4-9-17/h14-16,18H,2-13H2,1H3
InChIKeyBWFYNWXALDQDLI-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds5

About 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine (PubChem CID 102901303) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
PubChem CID102901303
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-2-11-18-15-6-5-14(12-15)13-16-7-10-17(19-16)8-3-4-9-17/h14-16,18H,2-13H2,1H3
InChIKeyBWFYNWXALDQDLI-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine
CID 102901315
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine
CID 102896417
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 102899052
3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
CID 103131852
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-[(2-chloro-5-methylcyclohexyl)methyl]-1-oxaspiro[4.5]decane
CID 102899914
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 102898526
3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 79569853
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine (CID 102901303) is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine?
The InChIKey is BWFYNWXALDQDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-11-18-15-6-5-14(12-15)13-16-7-10-17(19-16)8-3-4-9-17/h14-16,18H,2-13H2,1H3.
What are the key properties of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine?
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 102901303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).