N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine

C17H28N2O2 — CID 62392227

IUPACN-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCc1occc1CN(C)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H28N2O2/c1-14-15(5-8-21-14)11-19(2)13-17(6-9-20-10-7-17)12-18-16-3-4-16/h5,8,16,18H,3-4,6-7,9-13H2,1-2H3
InChIKeyRJBPOTKOXDYJHH-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.57
Rot. Bonds7

About N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62392227) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62392227
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCc1occc1CN(C)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H28N2O2/c1-14-15(5-8-21-14)11-19(2)13-17(6-9-20-10-7-17)12-18-16-3-4-16/h5,8,16,18H,3-4,6-7,9-13H2,1-2H3
InChIKeyRJBPOTKOXDYJHH-UHFFFAOYSA-N
XLogP2.57
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391480
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 65010470
N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392859
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391146
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol
CID 62390236
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906269
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine
CID 79415031

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62392227) is N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine is Cc1occc1CN(C)CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is RJBPOTKOXDYJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14-15(5-8-21-14)11-19(2)13-17(6-9-20-10-7-17)12-18-16-3-4-16/h5,8,16,18H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 292.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62392227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).