N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine

C17H23NO — CID 105163930

IUPACN-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H23NO/c1-5-12(3)10-15(18-6-2)17-11-14-9-13(4)7-8-16(14)19-17/h7-9,11,15,18H,3,5-6,10H2,1-2,4H3
InChIKeyRVRHWBSERHYUAC-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.75
Rot. Bonds6

About N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine

N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine (PubChem CID 105163930) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
PubChem CID105163930
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H23NO/c1-5-12(3)10-15(18-6-2)17-11-14-9-13(4)7-8-16(14)19-17/h7-9,11,15,18H,3,5-6,10H2,1-2,4H3
InChIKeyRVRHWBSERHYUAC-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
CID 105179544
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
N-ethyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038281
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163861
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
CID 105269594

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine (CID 105163930) is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(NCC)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The InChIKey is RVRHWBSERHYUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-12(3)10-15(18-6-2)17-11-14-9-13(4)7-8-16(14)19-17/h7-9,11,15,18H,3,5-6,10H2,1-2,4H3.
What are the key properties of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105163930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).