1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane

C14H24N2O — CID 54973303

IUPAC1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane
SMILESCC1CNCC(C)CN(C(C)c2ccco2)C1
InChIInChI=1S/C14H24N2O/c1-11-7-15-8-12(2)10-16(9-11)13(3)14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyWPXCVALWJOAUDE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.52
Rot. Bonds2

About 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane

1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane (PubChem CID 54973303) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane
PubChem CID54973303
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane
SMILESCC1CNCC(C)CN(C(C)c2ccco2)C1
InChIInChI=1S/C14H24N2O/c1-11-7-15-8-12(2)10-16(9-11)13(3)14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyWPXCVALWJOAUDE-UHFFFAOYSA-N
XLogP2.52
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575099
1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183897
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-amine
CID 43535712
4-[1-(furan-2-yl)ethyl]thiomorpholine
CID 130749822
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
N-ethyl-1-[1-(furan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 54975340
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404
1-[1-[1-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512099
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
CID 43535702
1-[1-(furan-2-yl)ethyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935794

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane (CID 54973303) is 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane is CC1CNCC(C)CN(C(C)c2ccco2)C1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane?
The InChIKey is WPXCVALWJOAUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-7-15-8-12(2)10-16(9-11)13(3)14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3.
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane?
1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane has a molecular weight of 236.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane is sourced from PubChem (CID 54973303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).