N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine

C16H28N2O — CID 62417012

IUPACN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
SMILESCN(Cc1ccoc1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-16(2,3)17-11-15-13(9-10-19-15)12-18(4)14-7-5-6-8-14/h9-10,14,17H,5-8,11-12H2,1-4H3
InChIKeyHCMOSQDGCPXBNO-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.54
Rot. Bonds5

About N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine

N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine (PubChem CID 62417012) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
PubChem CID62417012
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
SMILESCN(Cc1ccoc1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-16(2,3)17-11-15-13(9-10-19-15)12-18(4)14-7-5-6-8-14/h9-10,14,17H,5-8,11-12H2,1-4H3
InChIKeyHCMOSQDGCPXBNO-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methyloxolan-3-amine
CID 82754170
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
CID 62417218
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631
N-methyl-N-[[2-[(2-methylpropylamino)methyl]furan-3-yl]methyl]cyclopentanamine
CID 62419680
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
CID 62419292
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62419086
N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437066
N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 107402009

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine (CID 62417012) is N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine is CN(Cc1ccoc1CNC(C)(C)C)C1CCCC1.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine?
The InChIKey is HCMOSQDGCPXBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)17-11-15-13(9-10-19-15)12-18(4)14-7-5-6-8-14/h9-10,14,17H,5-8,11-12H2,1-4H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine?
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine has a molecular weight of 264.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine is sourced from PubChem (CID 62417012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).