N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine

C15H24N2O — CID 102899593

IUPACN-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H24N2O/c1-16-11-13-5-4-10-17(13)12-14-6-9-15(18-14)7-2-3-8-15/h4-5,10,14,16H,2-3,6-9,11-12H2,1H3
InChIKeyPDQXBNFRPAJQNU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.70
Rot. Bonds4

About N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine

N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine (PubChem CID 102899593) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine
PubChem CID102899593
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H24N2O/c1-16-11-13-5-4-10-17(13)12-14-6-9-15(18-14)7-2-3-8-15/h4-5,10,14,16H,2-3,6-9,11-12H2,1H3
InChIKeyPDQXBNFRPAJQNU-UHFFFAOYSA-N
XLogP2.70
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 102899594
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901040
4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901067
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846459
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
CID 102901099
N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine
CID 66403294
N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)phenyl]methanamine
CID 102901176
N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 66401412
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile
CID 107920440
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
CID 102897950

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine (CID 102899593) is N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine is CNCc1cccn1CC1CCC2(CCCC2)O1.
What is the InChIKey of N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine?
The InChIKey is PDQXBNFRPAJQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-11-13-5-4-10-17(13)12-14-6-9-15(18-14)7-2-3-8-15/h4-5,10,14,16H,2-3,6-9,11-12H2,1H3.
What are the key properties of N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine?
N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 102899593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).