N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine

C17H30N2O — CID 62447647

IUPACN-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(CN(CC(C)C)C(C)C)cc1CNC1CC1
InChIInChI=1S/C17H30N2O/c1-12(2)10-19(13(3)4)11-17-8-15(14(5)20-17)9-18-16-6-7-16/h8,12-13,16,18H,6-7,9-11H2,1-5H3
InChIKeySFMIRCBQYUQWAC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds8

About N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62447647) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62447647
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(CN(CC(C)C)C(C)C)cc1CNC1CC1
InChIInChI=1S/C17H30N2O/c1-12(2)10-19(13(3)4)11-17-8-15(14(5)20-17)9-18-16-6-7-16/h8,12-13,16,18H,6-7,9-11H2,1-5H3
InChIKeySFMIRCBQYUQWAC-UHFFFAOYSA-N
XLogP3.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62422031
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62428902
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79490285
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62426427
2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 54999877
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 79490038
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine
CID 66339006

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine (CID 62447647) is N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine is Cc1oc(CN(CC(C)C)C(C)C)cc1CNC1CC1.
What is the InChIKey of N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is SFMIRCBQYUQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)10-19(13(3)4)11-17-8-15(14(5)20-17)9-18-16-6-7-16/h8,12-13,16,18H,6-7,9-11H2,1-5H3.
What are the key properties of N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62447647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).