N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine

C16H28N2O — CID 62422910

IUPACN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(CNC(C)(C)C)co1)C1CC1
InChIInChI=1S/C16H28N2O/c1-5-8-18(14-6-7-14)11-15-9-13(12-19-15)10-17-16(2,3)4/h9,12,14,17H,5-8,10-11H2,1-4H3
InChIKeyOMDCHDYDDZQHFD-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.54
Rot. Bonds7

About N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine

N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine (PubChem CID 62422910) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
PubChem CID62422910
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(CNC(C)(C)C)co1)C1CC1
InChIInChI=1S/C16H28N2O/c1-5-8-18(14-6-7-14)11-15-9-13(12-19-15)10-17-16(2,3)4/h9,12,14,17H,5-8,10-11H2,1-4H3
InChIKeyOMDCHDYDDZQHFD-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine with MolForge

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Related Compounds

N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606
N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 78990027
N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 55074791
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426679
N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62439185
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
CID 62424681
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
CID 63059830
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine (CID 62422910) is N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine is CCCN(Cc1cc(CNC(C)(C)C)co1)C1CC1.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
The InChIKey is OMDCHDYDDZQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-8-18(14-6-7-14)11-15-9-13(12-19-15)10-17-16(2,3)4/h9,12,14,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine has a molecular weight of 264.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 62422910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).