N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H27NO3 — CID 28719562

IUPACN-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC(CNC1CCC2(CC1)OCCO2)COCC1CC1
InChIInChI=1S/C15H27NO3/c1(9-17-12-13-2-3-13)8-16-14-4-6-15(7-5-14)18-10-11-19-15/h13-14,16H,1-12H2
InChIKeyFBROBYCCAGMLIV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.08
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 28719562) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID28719562
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC(CNC1CCC2(CC1)OCCO2)COCC1CC1
InChIInChI=1S/C15H27NO3/c1(9-17-12-13-2-3-13)8-16-14-4-6-15(7-5-14)18-10-11-19-15/h13-14,16H,1-12H2
InChIKeyFBROBYCCAGMLIV-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1,4-dioxaspiro(4.5)decan-8-amine
CID 16786570
N-cyclohexyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 28424027
(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
CID 86793868
N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 24710506
N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63226092
N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 113326905
N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 114158706
N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 115405683
N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 115516969
N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 130478131
N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 11820081
N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 15342646

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 28719562) is N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine is C(CNC1CCC2(CC1)OCCO2)COCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is FBROBYCCAGMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1(9-17-12-13-2-3-13)8-16-14-4-6-15(7-5-14)18-10-11-19-15/h13-14,16H,1-12H2.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 269.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 28719562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).