N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H25NO — CID 55023953

IUPACN-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCc1ccc(CNC2CCC3CCCCC3C2)o1
InChIInChI=1S/C16H25NO/c1-12-6-9-16(18-12)11-17-15-8-7-13-4-2-3-5-14(13)10-15/h6,9,13-15,17H,2-5,7-8,10-11H2,1H3
InChIKeyBCFMRYLDLCQRRF-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.04
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 55023953) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID55023953
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCc1ccc(CNC2CCC3CCCCC3C2)o1
InChIInChI=1S/C16H25NO/c1-12-6-9-16(18-12)11-17-15-8-7-13-4-2-3-5-14(13)10-15/h6,9,13-15,17H,2-5,7-8,10-11H2,1H3
InChIKeyBCFMRYLDLCQRRF-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 55023953) is N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is Cc1ccc(CNC2CCC3CCCCC3C2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is BCFMRYLDLCQRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-9-16(18-12)11-17-15-8-7-13-4-2-3-5-14(13)10-15/h6,9,13-15,17H,2-5,7-8,10-11H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 247.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 55023953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).