[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine

C17H29NO2 — CID 102900544

IUPAC[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
SMILESNCC1(CC2CCC3(CCCC3)O2)CCOC1C1CC1
InChIInChI=1S/C17H29NO2/c18-12-16(9-10-19-15(16)13-3-4-13)11-14-5-8-17(20-14)6-1-2-7-17/h13-15H,1-12,18H2
InChIKeyPJADPVPKMKRYJC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.01
Rot. Bonds4

About [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine

[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine (PubChem CID 102900544) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
PubChem CID102900544
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
SMILESNCC1(CC2CCC3(CCCC3)O2)CCOC1C1CC1
InChIInChI=1S/C17H29NO2/c18-12-16(9-10-19-15(16)13-3-4-13)11-14-5-8-17(20-14)6-1-2-7-17/h13-15H,1-12,18H2
InChIKeyPJADPVPKMKRYJC-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine with MolForge

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Related Compounds

2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902363
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
CID 102901878
[2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanamine
CID 113420837
N-[[2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900551
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874
[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 104509416
[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509373
[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509499

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine (CID 102900544) is [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine is NCC1(CC2CCC3(CCCC3)O2)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine?
The InChIKey is PJADPVPKMKRYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c18-12-16(9-10-19-15(16)13-3-4-13)11-14-5-8-17(20-14)6-1-2-7-17/h13-15H,1-12,18H2.
What are the key properties of [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine?
[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine has a molecular weight of 279.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 102900544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).