N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine

C18H26N2O — CID 62430238

IUPACN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
SMILESCCCN(Cc1oc2ccccc2c1CNC)CC1CC1
InChIInChI=1S/C18H26N2O/c1-3-10-20(12-14-8-9-14)13-18-16(11-19-2)15-6-4-5-7-17(15)21-18/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyCWRNTQOZAJJWOB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.77
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine (PubChem CID 62430238) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
PubChem CID62430238
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
SMILESCCCN(Cc1oc2ccccc2c1CNC)CC1CC1
InChIInChI=1S/C18H26N2O/c1-3-10-20(12-14-8-9-14)13-18-16(11-19-2)15-6-4-5-7-17(15)21-18/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyCWRNTQOZAJJWOB-UHFFFAOYSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine (CID 62430238) is N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine is CCCN(Cc1oc2ccccc2c1CNC)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
The InChIKey is CWRNTQOZAJJWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-10-20(12-14-8-9-14)13-18-16(11-19-2)15-6-4-5-7-17(15)21-18/h4-7,14,19H,3,8-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62430238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).