N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C17H31NO2 — CID 81390369

IUPACN-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)C1CCCCCC1
InChIInChI=1S/C17H31NO2/c1-14(15-6-4-2-3-5-7-15)18-16-8-10-17(11-9-16)19-12-13-20-17/h14-16,18H,2-13H2,1H3/t14-/m1/s1
InChIKeyAPYFSIOGKXDCRC-CQSZACIVSA-N
MW281.44 g/mol
LogP3.62
Rot. Bonds3

About N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 81390369) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID81390369
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)C1CCCCCC1
InChIInChI=1S/C17H31NO2/c1-14(15-6-4-2-3-5-7-15)18-16-8-10-17(11-9-16)19-12-13-20-17/h14-16,18H,2-13H2,1H3/t14-/m1/s1
InChIKeyAPYFSIOGKXDCRC-CQSZACIVSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
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-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 81390369) is N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine is C[C@@H](NC1CCC2(CC1)OCCO2)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is APYFSIOGKXDCRC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14(15-6-4-2-3-5-7-15)18-16-8-10-17(11-9-16)19-12-13-20-17/h14-16,18H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 281.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 81390369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).