1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

C17H28N4 — CID 97396886

IUPAC1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCC3(CCCN3CC3CC3)CC2)n1
InChIInChI=1S/C17H28N4/c1-19-10-5-16(18-19)14-20-11-7-17(8-12-20)6-2-9-21(17)13-15-3-4-15/h5,10,15H,2-4,6-9,11-14H2,1H3
InChIKeyDDGOBGPYQDIXKY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.26
Rot. Bonds4

About 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97396886) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97396886
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCC3(CCCN3CC3CC3)CC2)n1
InChIInChI=1S/C17H28N4/c1-19-10-5-16(18-19)14-20-11-7-17(8-12-20)6-2-9-21(17)13-15-3-4-15/h5,10,15H,2-4,6-9,11-14H2,1H3
InChIKeyDDGOBGPYQDIXKY-UHFFFAOYSA-N
XLogP2.26
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97396886) is 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1ccc(CN2CCC3(CCCN3CC3CC3)CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is DDGOBGPYQDIXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19-10-5-16(18-19)14-20-11-7-17(8-12-20)6-2-9-21(17)13-15-3-4-15/h5,10,15H,2-4,6-9,11-14H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 288.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).