ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane

C11H27N — CID 171516133

IUPACethanamine;ethane;molecular hydrogen;spiro[2.4]heptane
SMILESC1CCC2(C1)CC2.CC.CCN.[H][H]
InChIInChI=1S/C7H12.C2H7N.C2H6.H2/c1-2-4-7(3-1)5-6-7;1-2-3;1-2;/h1-6H2;2-3H2,1H3;1-2H3;1H
InChIKeyGQHNHFHYMVEXKA-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.58
Rot. Bonds

About ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane

ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane (PubChem CID 171516133) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane.

Molecular Properties

Compound Nameethanamine;ethane;molecular hydrogen;spiro[2.4]heptane
PubChem CID171516133
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethanamine;ethane;molecular hydrogen;spiro[2.4]heptane
SMILESC1CCC2(C1)CC2.CC.CCN.[H][H]
InChIInChI=1S/C7H12.C2H7N.C2H6.H2/c1-2-4-7(3-1)5-6-7;1-2-3;1-2;/h1-6H2;2-3H2,1H3;1-2H3;1H
InChIKeyGQHNHFHYMVEXKA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
propane;spiro[3.3]heptane
CID 176988732
8-(aminomethyl)-N,N-diethylspiro[4.5]decan-8-amine
CID 114817997
spiro[2.7]decane
CID 12657449
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
spiro[4.4]nonane
CID 90780660
8-(aminomethyl)-N,N-dimethylspiro[4.5]decan-8-amine
CID 114818017
spiro[2.6]nonane;hydrochloride
CID 141316852
3-azaspiro[5.5]undecane;ethane;propane
CID 177188423
spiro[4.4]nonane;dihydrochloride
CID 172764572
ethanamine;ethane
CID 142339743

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane?
The IUPAC name of ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane (CID 171516133) is ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane.
What is the SMILES notation for ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane?
The canonical SMILES for ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane is C1CCC2(C1)CC2.CC.CCN.[H][H].
What is the InChIKey of ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane?
The InChIKey is GQHNHFHYMVEXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C2H7N.C2H6.H2/c1-2-4-7(3-1)5-6-7;1-2-3;1-2;/h1-6H2;2-3H2,1H3;1-2H3;1H.
What are the key properties of ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane?
ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane has a molecular weight of 173.34 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;molecular hydrogen;spiro[2.4]heptane is sourced from PubChem (CID 171516133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).