4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline

C14H18N2 — CID 22958195

IUPAC4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline
SMILESCC1=CC=NC2C1C=CC1C(C)=CCNC12
InChIInChI=1S/C14H18N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-7,11-14,16H,8H2,1-2H3
InChIKeyYESJFVBBUGWXPQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.11
Rot. Bonds

About 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline

4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline (PubChem CID 22958195) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline
PubChem CID22958195
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline
SMILESCC1=CC=NC2C1C=CC1C(C)=CCNC12
InChIInChI=1S/C14H18N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-7,11-14,16H,8H2,1-2H3
InChIKeyYESJFVBBUGWXPQ-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octahydro phenanthroline
CID 68636564
2,3,4,4a,5,6,6a,10a-Octahydro-4,7-phenanthroline
CID 54108859
4a,6,7,8,9,9a,10,10a-Octahydropyrido[2,3-g]quinoline
CID 67926157
N-(1,4b,8,9,10,10a,10b,12a-octahydroisoquinolino[4,3-c]isoquinolin-12-ylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 71171068
(4Z,6E)-N-cyclohex-2-en-1-yl-2-[4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-yl]-3,7-dimethyl-2-azabicyclo[6.3.1]dodeca-4,6,10-trien-9-amine
CID 89531199
4-[(1E,3Z)-hexa-1,3,5-trienyl]-7-[(3Z)-hexa-1,3,5-trien-2-yl]-2,9-dimethyl-1,6a,10a,10b-tetrahydro-1,10-phenanthroline
CID 90231033
5,9-Dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline
CID 91561084
7-Cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline
CID 91585435
1,2,3,4,4a,5,6,6a-Octahydro-1,7-phenanthroline
CID 118209278
1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine
CID 121450545
1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
CID 123222540
1-cyclohexyl-N-(2,5-dihydropyridin-2-ylmethyl)propan-2-amine
CID 123814439

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline?
The IUPAC name of 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline (CID 22958195) is 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline.
What is the SMILES notation for 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline?
The canonical SMILES for 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline is CC1=CC=NC2C1C=CC1C(C)=CCNC12.
What is the InChIKey of 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline?
The InChIKey is YESJFVBBUGWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-7,11-14,16H,8H2,1-2H3.
What are the key properties of 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline?
4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline has a molecular weight of 214.31 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,2,4a,6a,10a,10b-hexahydro-1,10-phenanthroline is sourced from PubChem (CID 22958195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).