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

C16H28N2O — CID 62421606

IUPACN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1occc1CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H28N2O/c1-5-9-18(14-6-7-14)12-15-13(8-10-19-15)11-17-16(2,3)4/h8,10,14,17H,5-7,9,11-12H2,1-4H3
InChIKeyFKMKMKJQHUZSFL-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.54
Rot. Bonds7

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

N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine (PubChem CID 62421606) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
PubChem CID62421606
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1occc1CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H28N2O/c1-5-9-18(14-6-7-14)12-15-13(8-10-19-15)11-17-16(2,3)4/h8,10,14,17H,5-7,9,11-12H2,1-4H3
InChIKeyFKMKMKJQHUZSFL-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-[[3-[(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-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62427353
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
CID 62417218
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 107402009
N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62420289
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429369
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55075072
N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437066
N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431615
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine (CID 62421606) is N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine is CCCN(Cc1occc1CNC(C)(C)C)C1CC1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
The InChIKey is FKMKMKJQHUZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-9-18(14-6-7-14)12-15-13(8-10-19-15)11-17-16(2,3)4/h8,10,14,17H,5-7,9,11-12H2,1-4H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine?
N-[[3-[(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-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 62421606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).