6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide

C16H18BrN3 — CID 138399966

IUPAC6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(C)c-2c1
InChIInChI=1S/C16H17N3.BrH/c1-3-15-14-8-10(17)4-6-12(14)13-7-5-11(18)9-16(13)19(15)2;/h4-9,18H,3,17H2,1-2H3;1H/b18-11+;
InChIKeyYVNRSOMGUGTRMU-NWBUNABESA-N
MW332.25 g/mol
LogP3.49
Rot. Bonds1

About 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide

6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide (PubChem CID 138399966) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide.

Molecular Properties

Compound Name6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide
PubChem CID138399966
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(C)c-2c1
InChIInChI=1S/C16H17N3.BrH/c1-3-15-14-8-10(17)4-6-12(14)13-7-5-11(18)9-16(13)19(15)2;/h4-9,18H,3,17H2,1-2H3;1H/b18-11+;
InChIKeyYVNRSOMGUGTRMU-NWBUNABESA-N
XLogP3.49
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dihydrobenzo[a]quinolizin-2-imine
CID 91293056
2-Diethylamino-3h-acridine
CID 137346134
1-Azatricyclo[7.3.1.05,13]trideca-4,7,9(13),10-tetraen-3-imine
CID 57191331
6-Imino-10-methyl-1,2-dihydroacridin-3-amine
CID 136209572
(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine
CID 139504048
4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-imino-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 163435351
(6Z)-6-(4-aminocyclohexa-2,4-dien-1-ylidene)-3-imino-N,N-bis(prop-2-enyl)cyclohexa-1,4-dien-1-amine
CID 164078124
Benzo[c]quinolizin-9-imine
CID 124288827
5,6-Diethyl-3-iminophenanthridin-8-amine;hydrobromide
CID 138396998
5,6-Diethyl-3-iminophenanthridin-8-amine
CID 138396999
5-Ethyl-3-imino-6-methyl-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1)
CID 138399100
5-Ethyl-3-imino-6-methylphenanthridin-8-amine
CID 138399101

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?
The IUPAC name of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide (CID 138399966) is 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide.
What is the SMILES notation for 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?
The canonical SMILES for 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide is Br.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(C)c-2c1.
What is the InChIKey of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?
The InChIKey is YVNRSOMGUGTRMU-NWBUNABESA-N. The full InChI is InChI=1S/C16H17N3.BrH/c1-3-15-14-8-10(17)4-6-12(14)13-7-5-11(18)9-16(13)19(15)2;/h4-9,18H,3,17H2,1-2H3;1H/b18-11+;.
What are the key properties of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?
6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide has a molecular weight of 332.25 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide is sourced from PubChem (CID 138399966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).