4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine

C17H31NO — CID 102901930

IUPAC4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCC(N)(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C17H31NO/c1-15(2)9-11-16(18,12-10-15)13-14-5-8-17(19-14)6-3-4-7-17/h14H,3-13,18H2,1-2H3
InChIKeyKAFRSUBKRMOQEN-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.17
Rot. Bonds2

About 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine

4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 102901930) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
PubChem CID102901930
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCC(N)(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C17H31NO/c1-15(2)9-11-16(18,12-10-15)13-14-5-8-17(19-14)6-3-4-7-17/h14H,3-13,18H2,1-2H3
InChIKeyKAFRSUBKRMOQEN-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
CID 102901878
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 102901926
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine (CID 102901930) is 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine is CC1(C)CCC(N)(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is KAFRSUBKRMOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2)9-11-16(18,12-10-15)13-14-5-8-17(19-14)6-3-4-7-17/h14H,3-13,18H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine?
4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102901930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).