2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile

C11H16N2O — CID 115131576

IUPAC2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
SMILESCc1ccc(C(C)(C)CNCC#N)o1
InChIInChI=1S/C11H16N2O/c1-9-4-5-10(14-9)11(2,3)8-13-7-6-12/h4-5,13H,7-8H2,1-3H3
InChIKeyKRBRAMRIWNOCBR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.98
Rot. Bonds4

About 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile

2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile (PubChem CID 115131576) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
PubChem CID115131576
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
SMILESCc1ccc(C(C)(C)CNCC#N)o1
InChIInChI=1S/C11H16N2O/c1-9-4-5-10(14-9)11(2,3)8-13-7-6-12/h4-5,13H,7-8H2,1-3H3
InChIKeyKRBRAMRIWNOCBR-UHFFFAOYSA-N
XLogP1.98
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile 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-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
CID 115206193
ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
CID 115257618
2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
CID 115133777
2-[[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131487
4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
CID 115149649
methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate
CID 14357301
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
2-[[2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131588
N-methyl-2-(5-methylfuran-2-yl)propan-2-amine
CID 83681997
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
CID 115118379
2-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131542

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile?
The IUPAC name of 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile (CID 115131576) is 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile.
What is the SMILES notation for 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile?
The canonical SMILES for 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile is Cc1ccc(C(C)(C)CNCC#N)o1.
What is the InChIKey of 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile?
The InChIKey is KRBRAMRIWNOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-4-5-10(14-9)11(2,3)8-13-7-6-12/h4-5,13H,7-8H2,1-3H3.
What are the key properties of 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile?
2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile has a molecular weight of 192.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile is sourced from PubChem (CID 115131576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).