1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine

C13H23NO — CID 102896556

IUPAC1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
SMILESC1CCC2(C1)CCC(CNCC1CC1)O2
InChIInChI=1S/C13H23NO/c1-2-7-13(6-1)8-5-12(15-13)10-14-9-11-3-4-11/h11-12,14H,1-10H2
InChIKeyULXZRQLOSXDJFI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds4

About 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine

1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine (PubChem CID 102896556) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
PubChem CID102896556
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
SMILESC1CCC2(C1)CCC(CNCC1CC1)O2
InChIInChI=1S/C13H23NO/c1-2-7-13(6-1)8-5-12(15-13)10-14-9-11-3-4-11/h11-12,14H,1-10H2
InChIKeyULXZRQLOSXDJFI-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658
5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102897660
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 105935822
2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 106292201
3,3,3-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 113750424
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 114127488
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158922
N-methyl-1-[(2S,3S,5S)-3-methyl-5-propyloxolan-2-yl]methanamine
CID 139541916
N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine
CID 139541923

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine (CID 102896556) is 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine is C1CCC2(C1)CCC(CNCC1CC1)O2.
What is the InChIKey of 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine?
The InChIKey is ULXZRQLOSXDJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-7-13(6-1)8-5-12(15-13)10-14-9-11-3-4-11/h11-12,14H,1-10H2.
What are the key properties of 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine?
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine is sourced from PubChem (CID 102896556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).