1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine

C15H26N2O2 — CID 106872195

IUPAC1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H26N2O2/c1-12-7-8-13(19-12)10-17(2)15(11-16)9-5-4-6-14(15)18-3/h7-8,14H,4-6,9-11,16H2,1-3H3
InChIKeyUXFNWFVEOPWWPE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.31
Rot. Bonds5

About 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine (PubChem CID 106872195) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine
PubChem CID106872195
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H26N2O2/c1-12-7-8-13(19-12)10-17(2)15(11-16)9-5-4-6-14(15)18-3/h7-8,14H,4-6,9-11,16H2,1-3H3
InChIKeyUXFNWFVEOPWWPE-UHFFFAOYSA-N
XLogP2.31
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine (CID 106872195) is 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine is COC1CCCCC1(CN)N(C)Cc1ccc(C)o1.
What is the InChIKey of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is UXFNWFVEOPWWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12-7-8-13(19-12)10-17(2)15(11-16)9-5-4-6-14(15)18-3/h7-8,14H,4-6,9-11,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106872195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).