N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C16H29NO2 — CID 81387414

IUPACN-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CC1)OCCO2)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-16(10-8-15)18-11-12-19-16/h13-15,17H,2-12H2,1H3/t13-/m0/s1
InChIKeyFKQGIGMJPYTZHN-ZDUSSCGKSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 81387414) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID81387414
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CC1)OCCO2)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-16(10-8-15)18-11-12-19-16/h13-15,17H,2-12H2,1H3/t13-/m0/s1
InChIKeyFKQGIGMJPYTZHN-ZDUSSCGKSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81390369
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
CID 60931755
N-(1-cyclopropylethyl)spiro[4.5]decan-8-amine
CID 114817251
N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 81387414) is N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine is C[C@H](NC1CCC2(CC1)OCCO2)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is FKQGIGMJPYTZHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-16(10-8-15)18-11-12-19-16/h13-15,17H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 81387414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).