cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

C19H32N2O — CID 97396894

IUPACcyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C19H32N2O/c22-18(17-5-2-1-3-6-17)20-13-10-19(11-14-20)9-4-12-21(19)15-16-7-8-16/h16-17H,1-15H2
InChIKeyPOJLGWANTYSXBW-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.43
Rot. Bonds3

About cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97396894) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97396894
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Namecyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C19H32N2O/c22-18(17-5-2-1-3-6-17)20-13-10-19(11-14-20)9-4-12-21(19)15-16-7-8-16/h16-17H,1-15H2
InChIKeyPOJLGWANTYSXBW-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97396894) is cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(C1CCCCC1)N1CCC2(CCCN2CC2CC2)CC1.
What is the InChIKey of cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is POJLGWANTYSXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c22-18(17-5-2-1-3-6-17)20-13-10-19(11-14-20)9-4-12-21(19)15-16-7-8-16/h16-17H,1-15H2.
What are the key properties of cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 304.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97396894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).