3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine

C11H20N2O — CID 106345441

IUPAC3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine
SMILESCc1cc(CNC(CN)C(C)C)co1
InChIInChI=1S/C11H20N2O/c1-8(2)11(5-12)13-6-10-4-9(3)14-7-10/h4,7-8,11,13H,5-6,12H2,1-3H3
InChIKeyPRLTUWYQROMBNG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.66
Rot. Bonds5

About 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine

3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine (PubChem CID 106345441) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine
PubChem CID106345441
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine
SMILESCc1cc(CNC(CN)C(C)C)co1
InChIInChI=1S/C11H20N2O/c1-8(2)11(5-12)13-6-10-4-9(3)14-7-10/h4,7-8,11,13H,5-6,12H2,1-3H3
InChIKeyPRLTUWYQROMBNG-UHFFFAOYSA-N
XLogP1.66
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-N-[(5-methylfuran-3-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

N-[(5-methylfuran-3-yl)methyl]butan-2-amine
CID 114820499
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 106345275
4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 106345320
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
3-methyl-2-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]butane-1,2-diamine
CID 115138139
2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine
CID 106345352
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345179
2-N-[(6-fluoro-1-benzothiophen-2-yl)methyl]-3-methylbutane-1,2-diamine
CID 106345477
3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 106345068
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296
2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan
CID 143593973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine (CID 106345441) is 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine is Cc1cc(CNC(CN)C(C)C)co1.
What is the InChIKey of 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine?
The InChIKey is PRLTUWYQROMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)11(5-12)13-6-10-4-9(3)14-7-10/h4,7-8,11,13H,5-6,12H2,1-3H3.
What are the key properties of 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine?
3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 106345441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).