7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H31NO4 — CID 63685078

IUPAC7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OCCOCCC)OCCO2
InChIInChI=1S/C16H31NO4/c1-3-7-17-14-5-6-16(20-11-12-21-16)13-15(14)19-10-9-18-8-4-2/h14-15,17H,3-13H2,1-2H3
InChIKeyKKJGDMWADIHTRB-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.09
Rot. Bonds9

About 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 63685078) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID63685078
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OCCOCCC)OCCO2
InChIInChI=1S/C16H31NO4/c1-3-7-17-14-5-6-16(20-11-12-21-16)13-15(14)19-10-9-18-8-4-2/h14-15,17H,3-13H2,1-2H3
InChIKeyKKJGDMWADIHTRB-UHFFFAOYSA-N
XLogP2.09
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propoxyethoxy)-N-propyloxan-4-amine
CID 55234053
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82004248
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14552387
ethyl (7S,8S)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 18632328
7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653912
2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 82003841
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
CID 66137561
2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
CID 103401822
N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28721496

Frequently Asked Questions

What is the IUPAC name of 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 63685078) is 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1OCCOCCC)OCCO2.
What is the InChIKey of 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is KKJGDMWADIHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-3-7-17-14-5-6-16(20-11-12-21-16)13-15(14)19-10-9-18-8-4-2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 301.43 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 63685078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).