N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine

C17H31NO — CID 115806207

IUPACN,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(CC)o1
InChIInChI=1S/C17H31NO/c1-5-9-10-14(6-2)13-16(18-8-4)17-12-11-15(7-3)19-17/h11-12,14,16,18H,5-10,13H2,1-4H3
InChIKeyMAIHTBFUXXWXSD-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.10
Rot. Bonds10

About N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine

N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine (PubChem CID 115806207) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine
PubChem CID115806207
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(CC)o1
InChIInChI=1S/C17H31NO/c1-5-9-10-14(6-2)13-16(18-8-4)17-12-11-15(7-3)19-17/h11-12,14,16,18H,5-10,13H2,1-4H3
InChIKeyMAIHTBFUXXWXSD-UHFFFAOYSA-N
XLogP5.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 62346766
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
N-ethyl-1-(5-ethylfuran-2-yl)-2-(4-ethylphenyl)ethanamine
CID 115803280
N-ethyl-1-(5-ethylfuran-2-yl)-4-methoxybutan-1-amine
CID 105054918
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
N-ethyl-1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanamine
CID 105029929
1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
CID 62346220
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
1-(5-ethylfuran-2-yl)octylhydrazine
CID 105293607
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
1-(3-chloro-2-methylphenyl)-N,3-diethylheptan-1-amine
CID 107102078
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine?
The IUPAC name of N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine (CID 115806207) is N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine?
The canonical SMILES for N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine is CCCCC(CC)CC(NCC)c1ccc(CC)o1.
What is the InChIKey of N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine?
The InChIKey is MAIHTBFUXXWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-9-10-14(6-2)13-16(18-8-4)17-12-11-15(7-3)19-17/h11-12,14,16,18H,5-10,13H2,1-4H3.
What are the key properties of N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine?
N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine is sourced from PubChem (CID 115806207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).