2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine

C15H29N3O — CID 103191687

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine
SMILESCCN(Cc1cc(C)c(CNC)o1)C(C)CN(C)C
InChIInChI=1S/C15H29N3O/c1-7-18(13(3)10-17(5)6)11-14-8-12(2)15(19-14)9-16-4/h8,13,16H,7,9-11H2,1-6H3
InChIKeyGAWLTZSDHQEOQS-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.08
Rot. Bonds8

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine (PubChem CID 103191687) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine
PubChem CID103191687
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine
SMILESCCN(Cc1cc(C)c(CNC)o1)C(C)CN(C)C
InChIInChI=1S/C15H29N3O/c1-7-18(13(3)10-17(5)6)11-14-8-12(2)15(19-14)9-16-4/h8,13,16H,7,9-11H2,1-6H3
InChIKeyGAWLTZSDHQEOQS-UHFFFAOYSA-N
XLogP2.08
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine with MolForge

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Related Compounds

N-ethyl-2-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62417469
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
2-N-ethyl-2-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191733
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
CID 62424078
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481157
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 55072592
N,2-dimethyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]oxolan-3-amine
CID 82754072
3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62431150
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62429064
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55074830
N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 102997544

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine (CID 103191687) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine is CCN(Cc1cc(C)c(CNC)o1)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine?
The InChIKey is GAWLTZSDHQEOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-18(13(3)10-17(5)6)11-14-8-12(2)15(19-14)9-16-4/h8,13,16H,7,9-11H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine has a molecular weight of 267.42 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine is sourced from PubChem (CID 103191687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).