9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline

C18H27ClN2 — CID 146266526

IUPAC9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline
SMILESClC1=NC2C(C=C1)CCC1CCC(C3CCCCC3)NC12
InChIInChI=1S/C18H27ClN2/c19-16-11-9-14-7-6-13-8-10-15(12-4-2-1-3-5-12)20-17(13)18(14)21-16/h9,11-15,17-18,20H,1-8,10H2
InChIKeyRHNBUFSVBASGGW-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.29
Rot. Bonds1

About 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline

9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline (PubChem CID 146266526) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline.

Molecular Properties

Compound Name9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline
PubChem CID146266526
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline
SMILESClC1=NC2C(C=C1)CCC1CCC(C3CCCCC3)NC12
InChIInChI=1S/C18H27ClN2/c19-16-11-9-14-7-6-13-8-10-15(12-4-2-1-3-5-12)20-17(13)18(14)21-16/h9,11-15,17-18,20H,1-8,10H2
InChIKeyRHNBUFSVBASGGW-UHFFFAOYSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,5,6,6a,10a,10b-Decahydro-1,10-phenanthroline
CID 22958180

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline?
The IUPAC name of 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline (CID 146266526) is 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline.
What is the SMILES notation for 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline?
The canonical SMILES for 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline is ClC1=NC2C(C=C1)CCC1CCC(C3CCCCC3)NC12.
What is the InChIKey of 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline?
The InChIKey is RHNBUFSVBASGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c19-16-11-9-14-7-6-13-8-10-15(12-4-2-1-3-5-12)20-17(13)18(14)21-16/h9,11-15,17-18,20H,1-8,10H2.
What are the key properties of 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline?
9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline has a molecular weight of 306.88 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-cyclohexyl-1,2,3,4,4a,5,6,6a,10a,10b-decahydro-1,10-phenanthroline is sourced from PubChem (CID 146266526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).