2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine

C15H21NO — CID 106701422

IUPAC2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
SMILESC/C=C/CCNC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H21NO/c1-4-5-8-11-16-14-12-9-6-7-10-13(12)17-15(14,2)3/h4-7,9-10,14,16H,8,11H2,1-3H3/b5-4+
InChIKeyZJXVCTDEABZTKG-SNAWJCMRSA-N
MW231.34 g/mol
LogP3.45
Rot. Bonds4

About 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine

2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine (PubChem CID 106701422) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
PubChem CID106701422
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
SMILESC/C=C/CCNC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H21NO/c1-4-5-8-11-16-14-12-9-6-7-10-13(12)17-15(14,2)3/h4-7,9-10,14,16H,8,11H2,1-3H3/b5-4+
InChIKeyZJXVCTDEABZTKG-SNAWJCMRSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
2,2-dimethyl-N-(4-methylsulfanylbutyl)-3H-1-benzofuran-3-amine
CID 106701442
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106336127
N-hex-5-ynyl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106209887
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
3-[2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309576
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701215

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine (CID 106701422) is 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine is C/C=C/CCNC1c2ccccc2OC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine?
The InChIKey is ZJXVCTDEABZTKG-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-5-8-11-16-14-12-9-6-7-10-13(12)17-15(14,2)3/h4-7,9-10,14,16H,8,11H2,1-3H3/b5-4+.
What are the key properties of 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine has a molecular weight of 231.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).