N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

C16H28N2O — CID 55072095

IUPACN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCNCc1coc(CN(C)C2CCCCC2C)c1
InChIInChI=1S/C16H28N2O/c1-4-17-10-14-9-15(19-12-14)11-18(3)16-8-6-5-7-13(16)2/h9,12-13,16-17H,4-8,10-11H2,1-3H3
InChIKeyQHLFEBULQNCZMX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.40
Rot. Bonds6

About N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 55072095) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID55072095
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCNCc1coc(CN(C)C2CCCCC2C)c1
InChIInChI=1S/C16H28N2O/c1-4-17-10-14-9-15(19-12-14)11-18(3)16-8-6-5-7-13(16)2/h9,12-13,16-17H,4-8,10-11H2,1-3H3
InChIKeyQHLFEBULQNCZMX-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,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 63940661
N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 105347488
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433190
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpentan-2-amine
CID 55074909
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754632
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
6-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 47164420
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62411943

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 55072095) is N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is CCNCc1coc(CN(C)C2CCCCC2C)c1.
What is the InChIKey of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is QHLFEBULQNCZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-17-10-14-9-15(19-12-14)11-18(3)16-8-6-5-7-13(16)2/h9,12-13,16-17H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-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-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55072095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).