[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine

C13H23NO2 — CID 130067900

IUPAC[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CC2CCCC3(C2)OCCO3)CC1
InChIInChI=1S/C13H23NO2/c14-10-12(4-5-12)8-11-2-1-3-13(9-11)15-6-7-16-13/h11H,1-10,14H2
InChIKeyRKRSDZQJCPERGR-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.05
Rot. Bonds3

About [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine

[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine (PubChem CID 130067900) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
PubChem CID130067900
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CC2CCCC3(C2)OCCO3)CC1
InChIInChI=1S/C13H23NO2/c14-10-12(4-5-12)8-11-2-1-3-13(9-11)15-6-7-16-13/h11H,1-10,14H2
InChIKeyRKRSDZQJCPERGR-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine (CID 130067900) is [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine is NCC1(CC2CCCC3(C2)OCCO3)CC1.
What is the InChIKey of [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine?
The InChIKey is RKRSDZQJCPERGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-10-12(4-5-12)8-11-2-1-3-13(9-11)15-6-7-16-13/h11H,1-10,14H2.
What are the key properties of [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine?
[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine is sourced from PubChem (CID 130067900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).