2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine

C14H24N2O — CID 61421776

IUPAC2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)C(N(C)Cc2ccoc2)C1
InChIInChI=1S/C14H24N2O/c1-11-3-4-13(8-15)14(7-11)16(2)9-12-5-6-17-10-12/h5-6,10-11,13-14H,3-4,7-9,15H2,1-2H3
InChIKeyAMYOAGGGHXHMCI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.47
Rot. Bonds4

About 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine

2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine (PubChem CID 61421776) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
PubChem CID61421776
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)C(N(C)Cc2ccoc2)C1
InChIInChI=1S/C14H24N2O/c1-11-3-4-13(8-15)14(7-11)16(2)9-12-5-6-17-10-12/h5-6,10-11,13-14H,3-4,7-9,15H2,1-2H3
InChIKeyAMYOAGGGHXHMCI-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine (CID 61421776) is 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine is CC1CCC(CN)C(N(C)Cc2ccoc2)C1.
What is the InChIKey of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine?
The InChIKey is AMYOAGGGHXHMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-3-4-13(8-15)14(7-11)16(2)9-12-5-6-17-10-12/h5-6,10-11,13-14H,3-4,7-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine?
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 61421776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).