N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine

C20H32N2O — CID 77093651

IUPACN,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine
SMILESCC(c1cccc(CN2CCC3(CCOCC3)CC2)c1)N(C)C
InChIInChI=1S/C20H32N2O/c1-17(21(2)3)19-6-4-5-18(15-19)16-22-11-7-20(8-12-22)9-13-23-14-10-20/h4-6,15,17H,7-14,16H2,1-3H3
InChIKeyILXHAXAEMNYMHU-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.70
Rot. Bonds4

About N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine

N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine (PubChem CID 77093651) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine
PubChem CID77093651
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine
SMILESCC(c1cccc(CN2CCC3(CCOCC3)CC2)c1)N(C)C
InChIInChI=1S/C20H32N2O/c1-17(21(2)3)19-6-4-5-18(15-19)16-22-11-7-20(8-12-22)9-13-23-14-10-20/h4-6,15,17H,7-14,16H2,1-3H3
InChIKeyILXHAXAEMNYMHU-UHFFFAOYSA-N
XLogP3.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[3-[(1S)-1-(dimethylamino)ethyl]phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97139012
1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77097038
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
1-[3-(morpholin-4-ylmethyl)phenyl]ethyl prop-2-enoate
CID 141095807
1-[[3-(difluoromethyl)phenyl]methyl]-4-ethylpiperidine-4-carboxylic acid
CID 115529624
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
(2S)-6-[[3-(difluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 164636493
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
CID 129457730
9-[(3-methylsulfinylphenyl)methyl]-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;hydrate
CID 171565639

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine (CID 77093651) is N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine is CC(c1cccc(CN2CCC3(CCOCC3)CC2)c1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
The InChIKey is ILXHAXAEMNYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-17(21(2)3)19-6-4-5-18(15-19)16-22-11-7-20(8-12-22)9-13-23-14-10-20/h4-6,15,17H,7-14,16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine has a molecular weight of 316.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 77093651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).