N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

C15H26N2O — CID 62426395

IUPACN-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC2CC2)cc1C
InChIInChI=1S/C15H26N2O/c1-4-7-16-9-15-12(2)8-14(18-15)11-17(3)10-13-5-6-13/h8,13,16H,4-7,9-11H2,1-3H3
InChIKeyZLQUTXVCGAUGSM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.93
Rot. Bonds8

About N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62426395) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62426395
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC2CC2)cc1C
InChIInChI=1S/C15H26N2O/c1-4-7-16-9-15-12(2)8-14(18-15)11-17(3)10-13-5-6-13/h8,13,16H,4-7,9-11H2,1-3H3
InChIKeyZLQUTXVCGAUGSM-UHFFFAOYSA-N
XLogP2.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.93
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-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63656726
N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63707162
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62411847
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63864021
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63657143
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]propan-1-amine
CID 62430415
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine
CID 62856054
N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62432328
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63939305
N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426837
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62429064

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (CID 62426395) is N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN(C)CC2CC2)cc1C.
What is the InChIKey of N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is ZLQUTXVCGAUGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-7-16-9-15-12(2)8-14(18-15)11-17(3)10-13-5-6-13/h8,13,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62426395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).