N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine

C16H28N2O — CID 55073598

IUPACN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCCNCc1ccc(CN(C)C2CCCC(C)C2)o1
InChIInChI=1S/C16H28N2O/c1-4-17-11-15-8-9-16(19-15)12-18(3)14-7-5-6-13(2)10-14/h8-9,13-14,17H,4-7,10-12H2,1-3H3
InChIKeyOMQPBWHMVXXXEF-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.40
Rot. Bonds6

About N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine (PubChem CID 55073598) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine
PubChem CID55073598
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCCNCc1ccc(CN(C)C2CCCC(C)C2)o1
InChIInChI=1S/C16H28N2O/c1-4-17-11-15-8-9-16(19-15)12-18(3)14-7-5-6-13(2)10-14/h8-9,13-14,17H,4-7,10-12H2,1-3H3
InChIKeyOMQPBWHMVXXXEF-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
CID 62434036
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430229
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62418314
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 79312711
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461555

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine (CID 55073598) is N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine is CCNCc1ccc(CN(C)C2CCCC(C)C2)o1.
What is the InChIKey of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
The InChIKey is OMQPBWHMVXXXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-17-11-15-8-9-16(19-15)12-18(3)14-7-5-6-13(2)10-14/h8-9,13-14,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55073598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).