N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine

C15H23NO — CID 1364525

IUPACN-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
SMILESCC1=C[C@H](C)[C@H](CNCc2ccco2)[C@H](C)C1
InChIInChI=1S/C15H23NO/c1-11-7-12(2)15(13(3)8-11)10-16-9-14-5-4-6-17-14/h4-7,12-13,15-16H,8-10H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyYHIFVIYJGMJLIA-GUTXKFCHSA-N
MW233.35 g/mol
LogP3.61
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine

N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine (PubChem CID 1364525) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
PubChem CID1364525
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
SMILESCC1=C[C@H](C)[C@H](CNCc2ccco2)[C@H](C)C1
InChIInChI=1S/C15H23NO/c1-11-7-12(2)15(13(3)8-11)10-16-9-14-5-4-6-17-14/h4-7,12-13,15-16H,8-10H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyYHIFVIYJGMJLIA-GUTXKFCHSA-N
XLogP3.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 904694
N-(furan-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107178330
1-(2,3-dihydro-1H-inden-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 103675715
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
N-(furan-2-ylmethyl)-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 46193736
N,N-dimethyl-1-[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 40543075
N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
CID 115677915
N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
CID 62566530
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine (CID 1364525) is N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine is CC1=C[C@H](C)[C@H](CNCc2ccco2)[C@H](C)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The InChIKey is YHIFVIYJGMJLIA-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-12(2)15(13(3)8-11)10-16-9-14-5-4-6-17-14/h4-7,12-13,15-16H,8-10H2,1-3H3/t12-,13+,15-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 1364525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).