N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H25NO — CID 43094167

IUPACN-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCCCCC(C)NC1CCCc2occc21
InChIInChI=1S/C15H25NO/c1-3-4-5-7-12(2)16-14-8-6-9-15-13(14)10-11-17-15/h10-12,14,16H,3-9H2,1-2H3
InChIKeyCGVKJFBNIYROKB-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.22
Rot. Bonds6

About N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43094167) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43094167
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCCCCC(C)NC1CCCc2occc21
InChIInChI=1S/C15H25NO/c1-3-4-5-7-12(2)16-14-8-6-9-15-13(14)10-11-17-15/h10-12,14,16H,3-9H2,1-2H3
InChIKeyCGVKJFBNIYROKB-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethoxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81297542
N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 78923408
N-[1-(furan-2-yl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63100256
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925
N-[1-(4-chlorophenyl)butyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43101797
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
1-N,1-N,3-trimethyl-2-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butane-1,2-diamine
CID 113315175
N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43173501
N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315171
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 82712185
N-[(1S)-1-(4-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466604
(3S)-4-methylsulfanyl-3-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]butan-1-ol
CID 99837606

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43094167) is N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CCCCCC(C)NC1CCCc2occc21.
What is the InChIKey of N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is CGVKJFBNIYROKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-7-12(2)16-14-8-6-9-15-13(14)10-11-17-15/h10-12,14,16H,3-9H2,1-2H3.
What are the key properties of N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 235.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43094167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).