N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine

C15H28N2O — CID 62420927

IUPACN,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC(C)C)cc1C
InChIInChI=1S/C15H28N2O/c1-6-7-16-9-15-13(4)8-14(18-15)11-17(5)10-12(2)3/h8,12,16H,6-7,9-11H2,1-5H3
InChIKeyZPCMWDVZTAHIPN-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.18
Rot. Bonds8

About N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine

N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62420927) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62420927
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC(C)C)cc1C
InChIInChI=1S/C15H28N2O/c1-6-7-16-9-15-13(4)8-14(18-15)11-17(5)10-12(2)3/h8,12,16H,6-7,9-11H2,1-5H3
InChIKeyZPCMWDVZTAHIPN-UHFFFAOYSA-N
XLogP3.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.18
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-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62426395
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-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426837
N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62432328
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 55072592
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63864021
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55074830
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62418971
N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457294

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (CID 62420927) is N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN(C)CC(C)C)cc1C.
What is the InChIKey of N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is ZPCMWDVZTAHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-7-16-9-15-13(4)8-14(18-15)11-17(5)10-12(2)3/h8,12,16H,6-7,9-11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62420927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).