1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine

C18H32N4 — CID 90460400

IUPAC1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine
SMILESCNCCC(C)(N)c1ccnn1C1CCC2(CCCC2)CC1
InChIInChI=1S/C18H32N4/c1-17(19,12-14-20-2)16-7-13-21-22(16)15-5-10-18(11-6-15)8-3-4-9-18/h7,13,15,20H,3-6,8-12,14,19H2,1-2H3
InChIKeyZUIAOAFKWKWQCP-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.34
Rot. Bonds5

About 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine

1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine (PubChem CID 90460400) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine
PubChem CID90460400
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine
SMILESCNCCC(C)(N)c1ccnn1C1CCC2(CCCC2)CC1
InChIInChI=1S/C18H32N4/c1-17(19,12-14-20-2)16-7-13-21-22(16)15-5-10-18(11-6-15)8-3-4-9-18/h7,13,15,20H,3-6,8-12,14,19H2,1-2H3
InChIKeyZUIAOAFKWKWQCP-UHFFFAOYSA-N
XLogP3.34
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine (CID 90460400) is 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine is CNCCC(C)(N)c1ccnn1C1CCC2(CCCC2)CC1.
What is the InChIKey of 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine?
The InChIKey is ZUIAOAFKWKWQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-17(19,12-14-20-2)16-7-13-21-22(16)15-5-10-18(11-6-15)8-3-4-9-18/h7,13,15,20H,3-6,8-12,14,19H2,1-2H3.
What are the key properties of 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine?
1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine has a molecular weight of 304.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine is sourced from PubChem (CID 90460400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).