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

C16H29NO — CID 102900287

IUPAC[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(CC2CCC3(CCCC3)O2)CCCCC1
InChIInChI=1S/C16H29NO/c17-13-15(7-2-1-3-8-15)12-14-6-11-16(18-14)9-4-5-10-16/h14H,1-13,17H2
InChIKeyGQVKZIXRUIVKIO-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.78
Rot. Bonds3

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

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 102900287) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
PubChem CID102900287
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(CC2CCC3(CCCC3)O2)CCCCC1
InChIInChI=1S/C16H29NO/c17-13-15(7-2-1-3-8-15)12-14-6-11-16(18-14)9-4-5-10-16/h14H,1-13,17H2
InChIKeyGQVKZIXRUIVKIO-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394

Frequently Asked Questions

What is the IUPAC name of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine (CID 102900287) is [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine is NCC1(CC2CCC3(CCCC3)O2)CCCCC1.
What is the InChIKey of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is GQVKZIXRUIVKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c17-13-15(7-2-1-3-8-15)12-14-6-11-16(18-14)9-4-5-10-16/h14H,1-13,17H2.
What are the key properties of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine?
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 251.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102900287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).