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

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

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Related Compounds

2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine
CID 61436815
7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61376926
7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61427088
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 87436012
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 107758310
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 104958510
1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine
CID 43611076
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
7-amino-1,4-dioxaspiro[4.5]decan-8-ol
CID 76655508
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891

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).