N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

C18H27NO — CID 104759583

IUPACN-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESCOC(C)(C)CNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H27NO/c1-18(2,20-3)12-19-17-15-8-9-16(17)11-14-7-5-4-6-13(14)10-15/h4-7,15-17,19H,8-12H2,1-3H3
InChIKeyNARMKWMAZVHMFQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.19
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (PubChem CID 104759583) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
PubChem CID104759583
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESCOC(C)(C)CNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H27NO/c1-18(2,20-3)12-19-17-15-8-9-16(17)11-14-7-5-4-6-13(14)10-15/h4-7,15-17,19H,8-12H2,1-3H3
InChIKeyNARMKWMAZVHMFQ-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-methoxyethyl)-3-phenylbicyclo[3.2.1]oct-3-en-2-amine
CID 44370128
5-(13-Tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol
CID 106122690
(2S)-3-methoxy-N-(2-phenylpropyl)butan-2-amine
CID 121518842
N-(3,3,3-trifluoropropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 81673230
(1S,10S)-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 100621949
2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 105375060
1,1,1-Trifluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-2-ol
CID 105643792
1,1-Difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-2-ol
CID 105644473
N-[2-(2,2-difluoroethoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 105906027
N-(4,4,4-trifluorobutan-2-yl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 105932470
4-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 113570467
4-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 113709275

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (CID 104759583) is N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is COC(C)(C)CNC1C2CCC1Cc1ccccc1C2.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The InChIKey is NARMKWMAZVHMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2,20-3)12-19-17-15-8-9-16(17)11-14-7-5-4-6-13(14)10-15/h4-7,15-17,19H,8-12H2,1-3H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine has a molecular weight of 273.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is sourced from PubChem (CID 104759583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).