1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine

C15H20N2O — CID 116912315

IUPAC1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1coc2ccccc12)C1(CN)CC1
InChIInChI=1S/C15H20N2O/c1-17(2)14(15(10-16)7-8-15)12-9-18-13-6-4-3-5-11(12)13/h3-6,9,14H,7-8,10,16H2,1-2H3
InChIKeyWCDOFDPSOQOMFP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.77
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine

1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine (PubChem CID 116912315) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
PubChem CID116912315
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1coc2ccccc12)C1(CN)CC1
InChIInChI=1S/C15H20N2O/c1-17(2)14(15(10-16)7-8-15)12-9-18-13-6-4-3-5-11(12)13/h3-6,9,14H,7-8,10,16H2,1-2H3
InChIKeyWCDOFDPSOQOMFP-UHFFFAOYSA-N
XLogP2.77
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116912387
[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine
CID 116945009
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905700
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914399
1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 116912259
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905955
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639
1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912282

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine (CID 116912315) is 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine is CN(C)C(c1coc2ccccc12)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The InChIKey is WCDOFDPSOQOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(2)14(15(10-16)7-8-15)12-9-18-13-6-4-3-5-11(12)13/h3-6,9,14H,7-8,10,16H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine?
1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116912315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).