N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine

C15H27NO2 — CID 2909404

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine
SMILESC1CCC(NCC2COC3(CCCCC3)O2)CC1
InChIInChI=1S/C15H27NO2/c1-3-7-13(8-4-1)16-11-14-12-17-15(18-14)9-5-2-6-10-15/h13-14,16H,1-12H2
InChIKeyGJGSIGRCYMXIDK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine (PubChem CID 2909404) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine
PubChem CID2909404
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine
SMILESC1CCC(NCC2COC3(CCCCC3)O2)CC1
InChIInChI=1S/C15H27NO2/c1-3-7-13(8-4-1)16-11-14-12-17-15(18-14)9-5-2-6-10-15/h13-14,16H,1-12H2
InChIKeyGJGSIGRCYMXIDK-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine (CID 2909404) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine is C1CCC(NCC2COC3(CCCCC3)O2)CC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine?
The InChIKey is GJGSIGRCYMXIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-7-13(8-4-1)16-11-14-12-17-15(18-14)9-5-2-6-10-15/h13-14,16H,1-12H2.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine has a molecular weight of 253.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanamine is sourced from PubChem (CID 2909404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).