N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine

C17H30N2O — CID 78990027

IUPACN-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1coc(CN(CCC(C)C)C2CC2)c1
InChIInChI=1S/C17H30N2O/c1-4-8-18-11-15-10-17(20-13-15)12-19(16-5-6-16)9-7-14(2)3/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyAZLWKWQJIQRWER-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds10

About N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine

N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 78990027) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID78990027
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1coc(CN(CCC(C)C)C2CC2)c1
InChIInChI=1S/C17H30N2O/c1-4-8-18-11-15-10-17(20-13-15)12-19(16-5-6-16)9-7-14(2)3/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyAZLWKWQJIQRWER-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446230
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682543
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78989912
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpentan-2-amine
CID 55074909

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (CID 78990027) is N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is CCCNCc1coc(CN(CCC(C)C)C2CC2)c1.
What is the InChIKey of N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is AZLWKWQJIQRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-8-18-11-15-10-17(20-13-15)12-19(16-5-6-16)9-7-14(2)3/h10,13-14,16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 78990027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).