[5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone

C16H27NO3 — CID 116589108

IUPAC[5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESNCC1CCC(C(=O)C2CCOC3(CCCCC3)C2)O1
InChIInChI=1S/C16H27NO3/c17-11-13-4-5-14(20-13)15(18)12-6-9-19-16(10-12)7-2-1-3-8-16/h12-14H,1-11,17H2
InChIKeyBVDAPMJUTCKNNA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.19
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 116589108) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID116589108
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESNCC1CCC(C(=O)C2CCOC3(CCCCC3)C2)O1
InChIInChI=1S/C16H27NO3/c17-11-13-4-5-14(20-13)15(18)12-6-9-19-16(10-12)7-2-1-3-8-16/h12-14H,1-11,17H2
InChIKeyBVDAPMJUTCKNNA-UHFFFAOYSA-N
XLogP2.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(3-ethyl-1,4-dithian-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115385923
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 116589108) is [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone is NCC1CCC(C(=O)C2CCOC3(CCCCC3)C2)O1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is BVDAPMJUTCKNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c17-11-13-4-5-14(20-13)15(18)12-6-9-19-16(10-12)7-2-1-3-8-16/h12-14H,1-11,17H2.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 116589108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).