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

C14H24N4O2 — CID 61438459

IUPAC7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCN(Cc1cnn(C)c1)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C14H24N4O2/c1-17(9-11-8-16-18(2)10-11)13-7-14(4-3-12(13)15)19-5-6-20-14/h8,10,12-13H,3-7,9,15H2,1-2H3
InChIKeyJQSVLQOVHQFAIL-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.47
Rot. Bonds3

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

7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine (PubChem CID 61438459) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine.

Molecular Properties

Compound Name7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine
PubChem CID61438459
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCN(Cc1cnn(C)c1)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C14H24N4O2/c1-17(9-11-8-16-18(2)10-11)13-7-14(4-3-12(13)15)19-5-6-20-14/h8,10,12-13H,3-7,9,15H2,1-2H3
InChIKeyJQSVLQOVHQFAIL-UHFFFAOYSA-N
XLogP0.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The IUPAC name of 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine (CID 61438459) is 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine.
What is the SMILES notation for 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The canonical SMILES for 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine is CN(Cc1cnn(C)c1)C1CC2(CCC1N)OCCO2.
What is the InChIKey of 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The InChIKey is JQSVLQOVHQFAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17(9-11-8-16-18(2)10-11)13-7-14(4-3-12(13)15)19-5-6-20-14/h8,10,12-13H,3-7,9,15H2,1-2H3.
What are the key properties of 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine?
7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine has a molecular weight of 280.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine is sourced from PubChem (CID 61438459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).