2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine

C14H24N2O — CID 55094127

IUPAC2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCc1occc1CN(C)CC1CCCCC1N
InChIInChI=1S/C14H24N2O/c1-11-12(7-8-17-11)9-16(2)10-13-5-3-4-6-14(13)15/h7-8,13-14H,3-6,9-10,15H2,1-2H3
InChIKeySKERWPCLVZFKBS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.54
Rot. Bonds4

About 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine

2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 55094127) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID55094127
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCc1occc1CN(C)CC1CCCCC1N
InChIInChI=1S/C14H24N2O/c1-11-12(7-8-17-11)9-16(2)10-13-5-3-4-6-14(13)15/h7-8,13-14H,3-6,9-10,15H2,1-2H3
InChIKeySKERWPCLVZFKBS-UHFFFAOYSA-N
XLogP2.54
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 55094127) is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine is Cc1occc1CN(C)CC1CCCCC1N.
What is the InChIKey of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is SKERWPCLVZFKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-12(7-8-17-11)9-16(2)10-13-5-3-4-6-14(13)15/h7-8,13-14H,3-6,9-10,15H2,1-2H3.
What are the key properties of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine?
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 55094127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).