N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine

C18H30N4O — CID 134072599

IUPACN-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1COC2(CCCN(Cc3ccn(C)n3)C2)C1)C1CC1
InChIInChI=1S/C18H30N4O/c1-20(17-4-5-17)11-15-10-18(23-13-15)7-3-8-22(14-18)12-16-6-9-21(2)19-16/h6,9,15,17H,3-5,7-8,10-14H2,1-2H3
InChIKeyPOPUYVGPGVCNDD-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine

N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine (PubChem CID 134072599) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
PubChem CID134072599
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1COC2(CCCN(Cc3ccn(C)n3)C2)C1)C1CC1
InChIInChI=1S/C18H30N4O/c1-20(17-4-5-17)11-15-10-18(23-13-15)7-3-8-22(14-18)12-16-6-9-21(2)19-16/h6,9,15,17H,3-5,7-8,10-14H2,1-2H3
InChIKeyPOPUYVGPGVCNDD-UHFFFAOYSA-N
XLogP1.89
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 123444440
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 118963075
3,9-Dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole
CID 144866138
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine
CID 145047772
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen
CID 145047906
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine
CID 153128827
N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine
CID 158747061
N-methyl-N-[[2-(2-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine
CID 159746458
N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine
CID 160276256
N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79907027
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79907029
2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine
CID 79907295

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine (CID 134072599) is N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine is CN(CC1COC2(CCCN(Cc3ccn(C)n3)C2)C1)C1CC1.
What is the InChIKey of N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The InChIKey is POPUYVGPGVCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-20(17-4-5-17)11-15-10-18(23-13-15)7-3-8-22(14-18)12-16-6-9-21(2)19-16/h6,9,15,17H,3-5,7-8,10-14H2,1-2H3.
What are the key properties of N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine has a molecular weight of 318.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 134072599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).