ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine

C13H23N — CID 142549075

IUPACethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine
SMILESC/C=N/C1=C(C)CC2(CC1)CC2.CC
InChIInChI=1S/C11H17N.C2H6/c1-3-12-10-4-5-11(6-7-11)8-9(10)2;1-2/h3H,4-8H2,1-2H3;1-2H3/b12-3+;
InChIKeyXFWVUXBMJCDHSP-QXKVDVGOSA-N
MW193.33 g/mol
LogP4.34
Rot. Bonds1

About ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine

ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine (PubChem CID 142549075) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine
PubChem CID142549075
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine
SMILESC/C=N/C1=C(C)CC2(CC1)CC2.CC
InChIInChI=1S/C11H17N.C2H6/c1-3-12-10-4-5-11(6-7-11)8-9(10)2;1-2/h3H,4-8H2,1-2H3;1-2H3/b12-3+;
InChIKeyXFWVUXBMJCDHSP-QXKVDVGOSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropylidene-5-ethyl-4,5-dihydro-3H-pyridine
CID 123560419
ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]
CID 142548989
ethane;spiro[4,5,7,8-tetrahydro-3H-quinoline-6,1'-cyclopropane]
CID 142548996
ethane;N-(2-methylcyclohexen-1-yl)ethanimine
CID 142549059
ethane;N-(2-methylcyclohexen-1-yl)ethanimine
CID 145380139
N-(2,6-dimethylcyclohexen-1-yl)ethanimine;ethane
CID 145471517
4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine
CID 146253049
spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]
CID 142548990
spiro[4,5,7,8-tetrahydro-3H-quinoline-6,1'-cyclopropane]
CID 142548997
N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine
CID 142549076
N-(5-methyl-2-propan-2-ylcyclohexen-1-yl)ethanimine
CID 144094743
N-(4,4-dimethyl-2-prop-1-en-2-ylcyclohexen-1-yl)ethanimine
CID 144094768

Frequently Asked Questions

What is the IUPAC name of ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine?
The IUPAC name of ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine (CID 142549075) is ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine.
What is the SMILES notation for ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine?
The canonical SMILES for ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine is C/C=N/C1=C(C)CC2(CC1)CC2.CC.
What is the InChIKey of ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine?
The InChIKey is XFWVUXBMJCDHSP-QXKVDVGOSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-3-12-10-4-5-11(6-7-11)8-9(10)2;1-2/h3H,4-8H2,1-2H3;1-2H3/b12-3+;.
What are the key properties of ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine?
ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine has a molecular weight of 193.33 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine is sourced from PubChem (CID 142549075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).