N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine

C16H28N2O — CID 78990082

IUPACN-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCNCc1cc(CN(CCC(C)C)C2CC2)c(C)o1
InChIInChI=1S/C16H28N2O/c1-12(2)7-8-18(15-5-6-15)11-14-9-16(10-17-4)19-13(14)3/h9,12,15,17H,5-8,10-11H2,1-4H3
InChIKeyDBSCQDKGIPOLGG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.32
Rot. Bonds8

About N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine

N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 78990082) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID78990082
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCNCc1cc(CN(CCC(C)C)C2CC2)c(C)o1
InChIInChI=1S/C16H28N2O/c1-12(2)7-8-18(15-5-6-15)11-14-9-16(10-17-4)19-13(14)3/h9,12,15,17H,5-8,10-11H2,1-4H3
InChIKeyDBSCQDKGIPOLGG-UHFFFAOYSA-N
XLogP3.32
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78989912
2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 62428024
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 78987355
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426825
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]methanamine
CID 62427462
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-3-methylbenzonitrile
CID 114481111

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine (CID 78990082) is N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine is CNCc1cc(CN(CCC(C)C)C2CC2)c(C)o1.
What is the InChIKey of N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is DBSCQDKGIPOLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)7-8-18(15-5-6-15)11-14-9-16(10-17-4)19-13(14)3/h9,12,15,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine?
N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 264.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 78990082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).