N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine

C13H25N3O — CID 55089418

IUPACN',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
SMILESCc1occc1CN(C)CCNCCN(C)C
InChIInChI=1S/C13H25N3O/c1-12-13(5-10-17-12)11-16(4)9-7-14-6-8-15(2)3/h5,10,14H,6-9,11H2,1-4H3
InChIKeyBTKJCIJECUPBRN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.17
Rot. Bonds8

About N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 55089418) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
PubChem CID55089418
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
SMILESCc1occc1CN(C)CCNCCN(C)C
InChIInChI=1S/C13H25N3O/c1-12-13(5-10-17-12)11-16(4)9-7-14-6-8-15(2)3/h5,10,14H,6-9,11H2,1-4H3
InChIKeyBTKJCIJECUPBRN-UHFFFAOYSA-N
XLogP1.17
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62557063
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62557238
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62558966
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 62558100
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
N-(3-fluorophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62558790
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine (CID 55089418) is N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine is Cc1occc1CN(C)CCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is BTKJCIJECUPBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12-13(5-10-17-12)11-16(4)9-7-14-6-8-15(2)3/h5,10,14H,6-9,11H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 239.36 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 55089418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).