3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine

C15H28N2O — CID 43208007

IUPAC3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1ccco1)N(C)C
InChIInChI=1S/C15H28N2O/c1-6-13(7-2)14(17(4)5)11-16-12(3)15-9-8-10-18-15/h8-10,12-14,16H,6-7,11H2,1-5H3
InChIKeyBXJWWDCSMHLUEJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.30
Rot. Bonds8

About 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine

3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43208007) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43208007
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1ccco1)N(C)C
InChIInChI=1S/C15H28N2O/c1-6-13(7-2)14(17(4)5)11-16-12(3)15-9-8-10-18-15/h8-10,12-14,16H,6-7,11H2,1-5H3
InChIKeyBXJWWDCSMHLUEJ-UHFFFAOYSA-N
XLogP3.30
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
1-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43107194
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 83118164
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine (CID 43208007) is 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC(C)c1ccco1)N(C)C.
What is the InChIKey of 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is BXJWWDCSMHLUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-13(7-2)14(17(4)5)11-16-12(3)15-9-8-10-18-15/h8-10,12-14,16H,6-7,11H2,1-5H3.
What are the key properties of 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43208007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).