2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine

C18H26N2O — CID 79008717

IUPAC2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)Cc1ccc(C)o1
InChIInChI=1S/C18H26N2O/c1-4-18(14-19,12-16-8-6-5-7-9-16)20(3)13-17-11-10-15(2)21-17/h5-11H,4,12-14,19H2,1-3H3
InChIKeySEVGQSSNMLZBQF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.37
Rot. Bonds7

About 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine

2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine (PubChem CID 79008717) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
PubChem CID79008717
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)Cc1ccc(C)o1
InChIInChI=1S/C18H26N2O/c1-4-18(14-19,12-16-8-6-5-7-9-16)20(3)13-17-11-10-15(2)21-17/h5-11H,4,12-14,19H2,1-3H3
InChIKeySEVGQSSNMLZBQF-UHFFFAOYSA-N
XLogP3.37
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79008970
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 79008921
2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 79008228
N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62256958
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 171442310
2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
CID 115129501
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
CID 79008800
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769
1-N,2,2,3-tetramethyl-1-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 65266928

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine (CID 79008717) is 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine is CCC(CN)(Cc1ccccc1)N(C)Cc1ccc(C)o1.
What is the InChIKey of 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
The InChIKey is SEVGQSSNMLZBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-18(14-19,12-16-8-6-5-7-9-16)20(3)13-17-11-10-15(2)21-17/h5-11H,4,12-14,19H2,1-3H3.
What are the key properties of 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 79008717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).