N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

C15H21NO — CID 16775468

IUPACN-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1coc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C15H21NO/c1-4-12-10-7-14(13(12)5-1)15(8-10)16-9-11-3-2-6-17-11/h2-3,6,10,12-16H,1,4-5,7-9H2
InChIKeyXYUYXZDDRGYMAR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds3

About N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 16775468) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID16775468
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1coc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C15H21NO/c1-4-12-10-7-14(13(12)5-1)15(8-10)16-9-11-3-2-6-17-11/h2-3,6,10,12-16H,1,4-5,7-9H2
InChIKeyXYUYXZDDRGYMAR-UHFFFAOYSA-N
XLogP3.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(furan-2-ylmethyl)cyclopropan-1-amine
CID 115655073
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
CID 115652912
N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222580
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
CID 104608471
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
CID 124676095
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
CID 115951364
N-(furan-2-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046629
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 16775468) is N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine is c1coc(CNC2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is XYUYXZDDRGYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-12-10-7-14(13(12)5-1)15(8-10)16-9-11-3-2-6-17-11/h2-3,6,10,12-16H,1,4-5,7-9H2.
What are the key properties of N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 231.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 16775468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).