N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine

C17H28N2O — CID 62411488

IUPACN-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1occc1CNC1CC1)CC1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(12-14-5-3-2-4-6-14)13-17-15(9-10-20-17)11-18-16-7-8-16/h9-10,14,16,18H,2-8,11-13H2,1H3
InChIKeyTUQAMRKMHDNVJR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.54
Rot. Bonds7

About N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62411488) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62411488
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1occc1CNC1CC1)CC1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(12-14-5-3-2-4-6-14)13-17-15(9-10-20-17)11-18-16-7-8-16/h9-10,14,16,18H,2-8,11-13H2,1H3
InChIKeyTUQAMRKMHDNVJR-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63701262
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746
N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 79311434
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63683744
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62856940
N-[[2-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63967417
N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462355
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436711
N-[[2-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431362
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274626

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine (CID 62411488) is N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine is CN(Cc1occc1CNC1CC1)CC1CCCCC1.
What is the InChIKey of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is TUQAMRKMHDNVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(12-14-5-3-2-4-6-14)13-17-15(9-10-20-17)11-18-16-7-8-16/h9-10,14,16,18H,2-8,11-13H2,1H3.
What are the key properties of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 276.42 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-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62411488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).