N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine

C18H27NO — CID 3061087

IUPACN,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine
SMILESCN(C)CC1COC2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C18H27NO/c1-19(2)13-16-14-20-18(11-7-4-8-12-18)17(16)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3
InChIKeyOEBFKVOYRDTUGY-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.68
Rot. Bonds3

About N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine

N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine (PubChem CID 3061087) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine
PubChem CID3061087
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine
SMILESCN(C)CC1COC2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C18H27NO/c1-19(2)13-16-14-20-18(11-7-4-8-12-18)17(16)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3
InChIKeyOEBFKVOYRDTUGY-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2312
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CID 44563683
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563684
3-methoxy-N,N-dimethyl-3,3-diphenylpropan-1-amine
CID 807523
1-[1-(Phenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520306
1-(2-Dimethylamino-1-p-tolyl-ethyl)-cyclohexanol (HCl)
CID 14739944
Anavex 1-41
CID 10446473
Pirandamine
CID 431429
(1R,2R)-(2-methoxy-2-phenyl-cyclohexylmethyl)-dimethyl-amine
CID 44455135
(1S,2S)-(2-methoxy-2-phenyl-cyclohexylmethyl)-dimethyl-amine
CID 44455136

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine (CID 3061087) is N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine is CN(C)CC1COC2(CCCCC2)C1c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The InChIKey is OEBFKVOYRDTUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-19(2)13-16-14-20-18(11-7-4-8-12-18)17(16)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine is sourced from PubChem (CID 3061087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).