(11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine

C14H19NO — CID 10013604

IUPAC(11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
SMILESCN(C)[C@H]1CC2Cc3ccccc3C(C1)O2
InChIInChI=1S/C14H19NO/c1-15(2)11-8-12-7-10-5-3-4-6-13(10)14(9-11)16-12/h3-6,11-12,14H,7-9H2,1-2H3/t11-,12?,14?/m0/s1
InChIKeyNSUMIYHRBBNDDT-DCBWTQNWSA-N
MW217.31 g/mol
LogP2.39
Rot. Bonds1

About (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine

(11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine (PubChem CID 10013604) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine.

Molecular Properties

Compound Name(11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
PubChem CID10013604
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
SMILESCN(C)[C@H]1CC2Cc3ccccc3C(C1)O2
InChIInChI=1S/C14H19NO/c1-15(2)11-8-12-7-10-5-3-4-6-13(10)14(9-11)16-12/h3-6,11-12,14H,7-9H2,1-2H3/t11-,12?,14?/m0/s1
InChIKeyNSUMIYHRBBNDDT-DCBWTQNWSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine with MolForge

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Related Compounds

(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
N,N-dimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601568
(1S,6R,14R,19S)-27,28-dioxaheptacyclo[17.7.1.16,14.02,17.04,15.07,12.020,25]octacosa-2(17),3,7,9,11,15,20,22,24-nonaene
CID 139054065
(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729243
(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118729258
(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 58717461
N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 140583940
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601731
(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729275
(1R,9S)-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-one
CID 98548263
(1R,2R)-2-ethyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130469930

Frequently Asked Questions

What is the IUPAC name of (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The IUPAC name of (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine (CID 10013604) is (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine.
What is the SMILES notation for (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The canonical SMILES for (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine is CN(C)[C@H]1CC2Cc3ccccc3C(C1)O2.
What is the InChIKey of (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The InChIKey is NSUMIYHRBBNDDT-DCBWTQNWSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(2)11-8-12-7-10-5-3-4-6-13(10)14(9-11)16-12/h3-6,11-12,14H,7-9H2,1-2H3/t11-,12?,14?/m0/s1.
What are the key properties of (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
(11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine has a molecular weight of 217.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-N,N-dimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine is sourced from PubChem (CID 10013604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).