6-methyl-5-propyl-1,10-phenanthrolin-2-amine

C16H17N3 — CID 145072736

IUPAC6-methyl-5-propyl-1,10-phenanthrolin-2-amine
SMILESCCCc1c(C)c2cccnc2c2nc(N)ccc12
InChIInChI=1S/C16H17N3/c1-3-5-11-10(2)12-6-4-9-18-15(12)16-13(11)7-8-14(17)19-16/h4,6-9H,3,5H2,1-2H3,(H2,17,19)
InChIKeyWTPOXZHPVFXBOM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.63
Rot. Bonds2

About 6-methyl-5-propyl-1,10-phenanthrolin-2-amine

6-methyl-5-propyl-1,10-phenanthrolin-2-amine (PubChem CID 145072736) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methyl-5-propyl-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound Name6-methyl-5-propyl-1,10-phenanthrolin-2-amine
PubChem CID145072736
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name6-methyl-5-propyl-1,10-phenanthrolin-2-amine
SMILESCCCc1c(C)c2cccnc2c2nc(N)ccc12
InChIInChI=1S/C16H17N3/c1-3-5-11-10(2)12-6-4-9-18-15(12)16-13(11)7-8-14(17)19-16/h4,6-9H,3,5H2,1-2H3,(H2,17,19)
InChIKeyWTPOXZHPVFXBOM-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1,10-phenanthrolin-2-amine
CID 121279009
2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+));tetrakis(4,5,6,7-tetrapropyl-1,10-phenanthroline)
CID 45255281
bis(2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene);ruthenium;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
3-butyl-2,4-dimethylquinolin-8-amine
CID 134910619
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))
CID 45256251
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
5,6-dimethyl-1,7-phenanthroline
CID 67494959
5,7-diamino-6-methylquinolin-8-ol
CID 23063822
2-octylpyridin-3-amine
CID 23131469
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane
CID 155602682

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propyl-1,10-phenanthrolin-2-amine?
The IUPAC name of 6-methyl-5-propyl-1,10-phenanthrolin-2-amine (CID 145072736) is 6-methyl-5-propyl-1,10-phenanthrolin-2-amine.
What is the SMILES notation for 6-methyl-5-propyl-1,10-phenanthrolin-2-amine?
The canonical SMILES for 6-methyl-5-propyl-1,10-phenanthrolin-2-amine is CCCc1c(C)c2cccnc2c2nc(N)ccc12.
What is the InChIKey of 6-methyl-5-propyl-1,10-phenanthrolin-2-amine?
The InChIKey is WTPOXZHPVFXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-5-11-10(2)12-6-4-9-18-15(12)16-13(11)7-8-14(17)19-16/h4,6-9H,3,5H2,1-2H3,(H2,17,19).
What are the key properties of 6-methyl-5-propyl-1,10-phenanthrolin-2-amine?
6-methyl-5-propyl-1,10-phenanthrolin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propyl-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 145072736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).