N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine

C19H29NO — CID 106328362

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
SMILESCCCCc1oc2ccccc2c1CNC(C)(CC)CC
InChIInChI=1S/C19H29NO/c1-5-8-12-18-16(14-20-19(4,6-2)7-3)15-11-9-10-13-17(15)21-18/h9-11,13,20H,5-8,12,14H2,1-4H3
InChIKeySOVNMSFTAKOMNN-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.44
Rot. Bonds8

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine

N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine (PubChem CID 106328362) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
PubChem CID106328362
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
SMILESCCCCc1oc2ccccc2c1CNC(C)(CC)CC
InChIInChI=1S/C19H29NO/c1-5-8-12-18-16(14-20-19(4,6-2)7-3)15-11-9-10-13-17(15)21-18/h9-11,13,20H,5-8,12,14H2,1-4H3
InChIKeySOVNMSFTAKOMNN-UHFFFAOYSA-N
XLogP5.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine
CID 107588194
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
CID 83009139
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
CID 43400232
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 103866300
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine (CID 106328362) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine is CCCCc1oc2ccccc2c1CNC(C)(CC)CC.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine?
The InChIKey is SOVNMSFTAKOMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-8-12-18-16(14-20-19(4,6-2)7-3)15-11-9-10-13-17(15)21-18/h9-11,13,20H,5-8,12,14H2,1-4H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine has a molecular weight of 287.45 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 106328362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).