N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

C18H28N2O — CID 43392179

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCc1oc2ccccc2c1CNCCCN(C)C
InChIInChI=1S/C18H28N2O/c1-4-5-10-18-16(14-19-12-8-13-20(2)3)15-9-6-7-11-17(15)21-18/h6-7,9,11,19H,4-5,8,10,12-14H2,1-3H3
InChIKeyFJVAOOZBISQLCC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.82
Rot. Bonds9

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43392179) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID43392179
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCc1oc2ccccc2c1CNCCCN(C)C
InChIInChI=1S/C18H28N2O/c1-4-5-10-18-16(14-19-12-8-13-20(2)3)15-9-6-7-11-17(15)21-18/h6-7,9,11,19H,4-5,8,10,12-14H2,1-3H3
InChIKeyFJVAOOZBISQLCC-UHFFFAOYSA-N
XLogP3.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82704885
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63001648
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 82758766
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 43392179) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is CCCCc1oc2ccccc2c1CNCCCN(C)C.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FJVAOOZBISQLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-10-18-16(14-19-12-8-13-20(2)3)15-9-6-7-11-17(15)21-18/h6-7,9,11,19H,4-5,8,10,12-14H2,1-3H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43392179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).