butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide

C10H26INO — CID 171539171

IUPACbutoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide
SMILESCCCCOC1CCC1.CCN.I.[H][H]
InChIInChI=1S/C8H16O.C2H7N.HI.H2/c1-2-3-7-9-8-5-4-6-8;1-2-3;;/h8H,2-7H2,1H3;2-3H2,1H3;2*1H
InChIKeyCZADUIRCLWKROF-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.18
Rot. Bonds4

About butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide

butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide (PubChem CID 171539171) has the molecular formula C10H26INO and a molecular weight of 303.23 g/mol. Its IUPAC name is butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide.

Molecular Properties

Compound Namebutoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide
PubChem CID171539171
Molecular FormulaC10H26INO
Molecular Weight303.23 g/mol
Exact Mass303.11
IUPAC Namebutoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide
SMILESCCCCOC1CCC1.CCN.I.[H][H]
InChIInChI=1S/C8H16O.C2H7N.HI.H2/c1-2-3-7-9-8-5-4-6-8;1-2-3;;/h8H,2-7H2,1H3;2-3H2,1H3;2*1H
InChIKeyCZADUIRCLWKROF-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxycyclobutane
CID 54057236
2-butoxyethoxycyclobutane
CID 150038799
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
butoxycyclopentane;ethane-1,2-diol
CID 174670164
10-butoxycyclooctadecan-1-ol
CID 91298202
heptoxycyclopropane
CID 54099544
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
4-butoxy-1,8-diazabicyclo[6.1.0]nonane
CID 69083810
1-ethoxy-4-hexoxycyclohexane
CID 147022477
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 71106589
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756

Frequently Asked Questions

What is the IUPAC name of butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide?
The IUPAC name of butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide (CID 171539171) is butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide.
What is the SMILES notation for butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide?
The canonical SMILES for butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide is CCCCOC1CCC1.CCN.I.[H][H].
What is the InChIKey of butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide?
The InChIKey is CZADUIRCLWKROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H7N.HI.H2/c1-2-3-7-9-8-5-4-6-8;1-2-3;;/h8H,2-7H2,1H3;2-3H2,1H3;2*1H.
What are the key properties of butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide?
butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide has a molecular weight of 303.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide is sourced from PubChem (CID 171539171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).