N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

C18H31NO — CID 104988757

IUPACN-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C18H31NO/c1-6-7-19-18(17-11-14(4)20-15(17)5)16-9-12(2)8-13(3)10-16/h11-13,16,18-19H,6-10H2,1-5H3
InChIKeyRHXODJLIVQMFRL-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.01
Rot. Bonds5

About N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 104988757) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID104988757
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C18H31NO/c1-6-7-19-18(17-11-14(4)20-15(17)5)16-9-12(2)8-13(3)10-16/h11-13,16,18-19H,6-10H2,1-5H3
InChIKeyRHXODJLIVQMFRL-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104988636
N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156694
N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503991
N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 104988970
N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825204
N-[(3-bromo-4-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989016
N-[(2,3-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989068
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003
N-[(3,5-dimethylcyclohexyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107975657
N-[(3,5-dimethylcyclohexyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 104988770
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (CID 104988757) is N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)oc1C)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is RHXODJLIVQMFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-7-19-18(17-11-14(4)20-15(17)5)16-9-12(2)8-13(3)10-16/h11-13,16,18-19H,6-10H2,1-5H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104988757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).