N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine

C15H25NO — CID 115652704

IUPACN-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2occc2C)CC1
InChIInChI=1S/C15H25NO/c1-3-4-13-5-7-14(8-6-13)16-11-15-12(2)9-10-17-15/h9-10,13-14,16H,3-8,11H2,1-2H3
InChIKeyRAVKREDWTFJGMC-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.04
Rot. Bonds5

About N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine

N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 115652704) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID115652704
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2occc2C)CC1
InChIInChI=1S/C15H25NO/c1-3-4-13-5-7-14(8-6-13)16-11-15-12(2)9-10-17-15/h9-10,13-14,16H,3-8,11H2,1-2H3
InChIKeyRAVKREDWTFJGMC-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
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-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine (CID 115652704) is N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2occc2C)CC1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is RAVKREDWTFJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-13-5-7-14(8-6-13)16-11-15-12(2)9-10-17-15/h9-10,13-14,16H,3-8,11H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine?
N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 115652704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).