N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H27NO2 — CID 113454913

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(C)C1(CNC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H27NO2/c1-12(2)14(7-8-14)11-16-13-3-5-15(6-4-13)17-9-10-18-15/h12-13,16H,3-11H2,1-2H3
InChIKeyJLUPUPWKGKVIPF-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.70
Rot. Bonds4

About N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 113454913) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID113454913
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(C)C1(CNC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H27NO2/c1-12(2)14(7-8-14)11-16-13-3-5-15(6-4-13)17-9-10-18-15/h12-13,16H,3-11H2,1-2H3
InChIKeyJLUPUPWKGKVIPF-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,4-Dioxaspiro[4.5]dec-6-yl)ethyl]isopropylamine
CID 86002444
N-cyclopropyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 16791385
N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28428561
N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28453773
ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 91032668
N,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 138595355
N-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28424877
N-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28431185
N-(3-methylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28449354
N-(dicyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28661320
N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28681811
N-[3-(cyclopropylmethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28719562

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 113454913) is N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is CC(C)C1(CNC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is JLUPUPWKGKVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)14(7-8-14)11-16-13-3-5-15(6-4-13)17-9-10-18-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 253.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 113454913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).