N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine

C17H31NO3 — CID 103547014

IUPACN-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO3/c1-2-8-18-15(12-16-19-10-11-20-16)14-5-9-21-17(13-14)6-3-4-7-17/h14-16,18H,2-13H2,1H3
InChIKeyYWYJGYPMGFJQMU-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine

N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine (PubChem CID 103547014) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
PubChem CID103547014
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO3/c1-2-8-18-15(12-16-19-10-11-20-16)14-5-9-21-17(13-14)6-3-4-7-17/h14-16,18H,2-13H2,1H3
InChIKeyYWYJGYPMGFJQMU-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propoxyethyl]propan-1-amine
CID 79914384
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylbut-3-en-1-amine
CID 116661007
N-[(3-methylcyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910791

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine (CID 103547014) is N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine is CCCNC(CC1OCCO1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine?
The InChIKey is YWYJGYPMGFJQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-8-18-15(12-16-19-10-11-20-16)14-5-9-21-17(13-14)6-3-4-7-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine?
N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103547014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).