7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine

C16H30N2O2 — CID 61437064

IUPAC7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCC1CCC(N(C)C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-12-3-5-13(6-4-12)18(2)15-11-16(8-7-14(15)17)19-9-10-20-16/h12-15H,3-11,17H2,1-2H3
InChIKeyVZCXLFJZMMGNRH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.12
Rot. Bonds2

About 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine

7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine (PubChem CID 61437064) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine.

Molecular Properties

Compound Name7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
PubChem CID61437064
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCC1CCC(N(C)C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-12-3-5-13(6-4-12)18(2)15-11-16(8-7-14(15)17)19-9-10-20-16/h12-15H,3-11,17H2,1-2H3
InChIKeyVZCXLFJZMMGNRH-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The IUPAC name of 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine (CID 61437064) is 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine.
What is the SMILES notation for 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The canonical SMILES for 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine is CC1CCC(N(C)C2CC3(CCC2N)OCCO3)CC1.
What is the InChIKey of 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The InChIKey is VZCXLFJZMMGNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-3-5-13(6-4-12)18(2)15-11-16(8-7-14(15)17)19-9-10-20-16/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine has a molecular weight of 282.43 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine is sourced from PubChem (CID 61437064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).