N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine

C17H25NO — CID 63944731

IUPACN-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H25NO/c1-4-6-10-15(5-2)18-13(3)17-12-14-9-7-8-11-16(14)19-17/h7-9,11-13,15,18H,4-6,10H2,1-3H3
InChIKeyVSLUIINXRCQURE-UHFFFAOYSA-N
MW259.39 g/mol
LogP5.05
Rot. Bonds7

About N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine

N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine (PubChem CID 63944731) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
PubChem CID63944731
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H25NO/c1-4-6-10-15(5-2)18-13(3)17-12-14-9-7-8-11-16(14)19-17/h7-9,11-13,15,18H,4-6,10H2,1-3H3
InChIKeyVSLUIINXRCQURE-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62631823
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
2-butan-2-yl-1-benzofuran
CID 12065919
N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471730
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine (CID 63944731) is N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine is CCCCC(CC)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine?
The InChIKey is VSLUIINXRCQURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-6-10-15(5-2)18-13(3)17-12-14-9-7-8-11-16(14)19-17/h7-9,11-13,15,18H,4-6,10H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine?
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine has a molecular weight of 259.39 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine is sourced from PubChem (CID 63944731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).