(11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane

C23H37N — CID 139479214

IUPAC(11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane
SMILESC=C/C=C1/CCCCC2(CCCCC2)CC(C)CN(C)/C1=C/C=C
InChIInChI=1S/C23H37N/c1-5-12-21-14-8-11-17-23(15-9-7-10-16-23)18-20(3)19-24(4)22(21)13-6-2/h5-6,12-13,20H,1-2,7-11,14-19H2,3-4H3/b21-12-,22-13+
InChIKeyVYIUMJZDAPXHGH-VZHHCOETSA-N
MW327.56 g/mol
LogP6.65
Rot. Bonds2

About (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane

(11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane (PubChem CID 139479214) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane.

Molecular Properties

Compound Name(11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane
PubChem CID139479214
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name(11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane
SMILESC=C/C=C1/CCCCC2(CCCCC2)CC(C)CN(C)/C1=C/C=C
InChIInChI=1S/C23H37N/c1-5-12-21-14-8-11-17-23(15-9-7-10-16-23)18-20(3)19-24(4)22(21)13-6-2/h5-6,12-13,20H,1-2,7-11,14-19H2,3-4H3/b21-12-,22-13+
InChIKeyVYIUMJZDAPXHGH-VZHHCOETSA-N
XLogP6.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane?
The IUPAC name of (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane (CID 139479214) is (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane.
What is the SMILES notation for (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane?
The canonical SMILES for (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane is C=C/C=C1/CCCCC2(CCCCC2)CC(C)CN(C)/C1=C/C=C.
What is the InChIKey of (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane?
The InChIKey is VYIUMJZDAPXHGH-VZHHCOETSA-N. The full InChI is InChI=1S/C23H37N/c1-5-12-21-14-8-11-17-23(15-9-7-10-16-23)18-20(3)19-24(4)22(21)13-6-2/h5-6,12-13,20H,1-2,7-11,14-19H2,3-4H3/b21-12-,22-13+.
What are the key properties of (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane?
(11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane has a molecular weight of 327.56 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,12Z)-8,10-dimethyl-11,12-bis(prop-2-enylidene)-10-azaspiro[5.10]hexadecane is sourced from PubChem (CID 139479214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).