1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine

C16H22N2O — CID 107586256

IUPAC1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cncc(C)c2)o1
InChIInChI=1S/C16H22N2O/c1-4-7-18-13(3)9-15-5-6-16(19-15)14-8-12(2)10-17-11-14/h5-6,8,10-11,13,18H,4,7,9H2,1-3H3
InChIKeyMVBDMVMXGJUUKB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.58
Rot. Bonds6

About 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine

1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 107586256) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID107586256
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cncc(C)c2)o1
InChIInChI=1S/C16H22N2O/c1-4-7-18-13(3)9-15-5-6-16(19-15)14-8-12(2)10-17-11-14/h5-6,8,10-11,13,18H,4,7,9H2,1-3H3
InChIKeyMVBDMVMXGJUUKB-UHFFFAOYSA-N
XLogP3.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 55188418
N-propyl-1-[5-(4-propylphenyl)furan-2-yl]propan-2-amine
CID 63398712
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine
CID 65474544
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
CID 115375289
N-ethyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086160
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine (CID 107586256) is 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2cncc(C)c2)o1.
What is the InChIKey of 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is MVBDMVMXGJUUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-7-18-13(3)9-15-5-6-16(19-15)14-8-12(2)10-17-11-14/h5-6,8,10-11,13,18H,4,7,9H2,1-3H3.
What are the key properties of 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 107586256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).